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2,3-bis[4-(diphenylamino)phenyl]-1??-benzothiophene-1,1-dione

2,3-bis[4-(diphenylamino)phenyl]-1??-benzothiophene-1,1-dione

CAS: 2091868-86-7

Formula: C44H32N2O2S

SMILES: O=S1(=O)C2=CC=CC=C2C(=C1C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 2,3-bis[4-(diphenylamino)phenyl]-1??-benzothiophene-1,1-dione

InChI: InChI=1S/C44H32N2O2S/c47-49(48)42-24-14-13-23-41(42)43(33-25-29-39(30-26-33)45(35-15-5-1-6-16-35)36-17-7-2-8-18-36)44(49)34-27-31-40(32-28-34)46(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-32H

Composition: C (80.96%), H (4.94%), N (4.29%), O (4.90%), S (4.91%)

Molar Mass: 652.81

Atom Count: 81

Heavy Atom Count: 49

Properties
Properties
Common Names N/A
Aromatic Ring Count 7
Asymmetric Atom Count 0
Exact Mass 652.218449452
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PMNBQZRRUOTQBL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 208.77
Topological Polar Surface Area 40.62
Polarizability 77.1
Ring Count 8
Rotatable Bond Count 8

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