7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine

C52H36N2S — CID 166856559

IUPAC7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4c3sc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)53(41-22-9-3-10-23-41)49-36-35-48(50-46-34-31-40-21-13-14-27-45(40)51(46)55-52(49)50)54(42-24-11-4-12-25-42)47-28-16-15-26-44(47)39-19-7-2-8-20-39/h1-36H
InChIKeyUCIYGBBKLKRFDY-UHFFFAOYSA-N
MW720.94 g/mol
LogP15.48
Rot. Bonds8

About 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine

7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine (PubChem CID 166856559) has the molecular formula C52H36N2S and a molecular weight of 720.94 g/mol. Its IUPAC name is 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine.

Molecular Properties

Compound Name7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine
PubChem CID166856559
Molecular FormulaC52H36N2S
Molecular Weight720.94 g/mol
Exact Mass720.26
IUPAC Name7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4c3sc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C52H36N2S/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)53(41-22-9-3-10-23-41)49-36-35-48(50-46-34-31-40-21-13-14-27-45(40)51(46)55-52(49)50)54(42-24-11-4-12-25-42)47-28-16-15-26-44(47)39-19-7-2-8-20-39/h1-36H
InChIKeyUCIYGBBKLKRFDY-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

N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 170675156
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417
9-N,10-N-diphenyl-9-N,10-N-bis(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine
CID 166856071
9-N,10-N,10-N-triphenyl-9-N-(2-phenylphenyl)naphtho[1,2-b][1]benzothiole-9,10-diamine
CID 166856306
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-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-[2-(4-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 169007799
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170272338
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 169007287
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
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 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine?
The IUPAC name of 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine (CID 166856559) is 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine.
What is the SMILES notation for 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine?
The canonical SMILES for 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4-c4ccccc4)c4c3sc3c5ccccc5ccc34)cc2)cc1.
What is the InChIKey of 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine?
The InChIKey is UCIYGBBKLKRFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2S/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)53(41-22-9-3-10-23-41)49-36-35-48(50-46-34-31-40-21-13-14-27-45(40)51(46)55-52(49)50)54(42-24-11-4-12-25-42)47-28-16-15-26-44(47)39-19-7-2-8-20-39/h1-36H.
What are the key properties of 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine?
7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-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 7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine is sourced from PubChem (CID 166856559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).