9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine

C52H36N2S — CID 166856071

IUPAC9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(sc4c5ccccc5ccc34)c2N(c2ccccc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C52H36N2S/c1-5-19-37(20-6-1)42-28-15-17-31-47(42)53(40-24-9-3-10-25-40)49-36-35-46-45-34-33-39-23-13-14-30-44(39)51(45)55-52(46)50(49)54(41-26-11-4-12-27-41)48-32-18-16-29-43(48)38-21-7-2-8-22-38/h1-36H
InChIKeyWGVUBJPROJNOEQ-UHFFFAOYSA-N
MW720.94 g/mol
LogP15.48
Rot. Bonds8

About 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine

9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine (PubChem CID 166856071) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine
PubChem CID166856071
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC Name9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(sc4c5ccccc5ccc34)c2N(c2ccccc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C52H36N2S/c1-5-19-37(20-6-1)42-28-15-17-31-47(42)53(40-24-9-3-10-25-40)49-36-35-46-45-34-33-39-23-13-14-30-44(39)51(45)55-52(46)50(49)54(41-26-11-4-12-27-41)48-32-18-16-29-43(48)38-21-7-2-8-22-38/h1-36H
InChIKeyWGVUBJPROJNOEQ-UHFFFAOYSA-N
XLogP15.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-N,10-N,10-N-triphenyl-9-N-(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine
CID 166856306
9-N,9-N,10-N,10-N-tetraphenylnaphtho[1,2-b][1]benzothiole-9,10-diamine
CID 169293357
7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine
CID 166856559
8-N,9-N-diphenyl-8-N-(2-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,9-diamine
CID 166856579
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417
N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 170675156
1-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 164774553
8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
CID 166856528
N-phenyl-N-(2-phenylphenyl)anthracen-9-amine
CID 22630557
N-[2-(4-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 169007799
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-[2-[2-(N-dibenzothiophen-4-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167086859

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine?
The IUPAC name of 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine (CID 166856071) is 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine.
What is the SMILES notation for 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine?
The canonical SMILES for 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(sc4c5ccccc5ccc34)c2N(c2ccccc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine?
The InChIKey is WGVUBJPROJNOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-5-19-37(20-6-1)42-28-15-17-31-47(42)53(40-24-9-3-10-25-40)49-36-35-46-45-34-33-39-23-13-14-30-44(39)51(45)55-52(46)50(49)54(41-26-11-4-12-27-41)48-32-18-16-29-43(48)38-21-7-2-8-22-38/h1-36H.
What are the key properties of 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine?
9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine has a molecular weight of 720.94 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine is sourced from PubChem (CID 166856071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).