N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine

C46H31NS — CID 170675156

IUPACN-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4c3sc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-4-12-32(13-5-1)34-20-22-37(23-21-34)41-30-31-43(44-42-29-26-36-16-10-11-19-40(36)45(42)48-46(41)44)47(38-17-8-3-9-18-38)39-27-24-35(25-28-39)33-14-6-2-7-15-33/h1-31H
InChIKeyRJUHCQNUDBZTAR-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine

N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine (PubChem CID 170675156) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine.

Molecular Properties

Compound NameN-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
PubChem CID170675156
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC NameN-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4c3sc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-4-12-32(13-5-1)34-20-22-37(23-21-34)41-30-31-43(44-42-29-26-36-16-10-11-19-40(36)45(42)48-46(41)44)47(38-17-8-3-9-18-38)39-27-24-35(25-28-39)33-14-6-2-7-15-33/h1-31H
InChIKeyRJUHCQNUDBZTAR-UHFFFAOYSA-N
XLogP13.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.83
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine
CID 166856559
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170272338
N,N-di(phenanthren-3-yl)-4-phenyldibenzothiophen-1-amine
CID 176821444
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856058
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604907
8-N,9-N-diphenyl-8-N-(2-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,9-diamine
CID 166856579
9-N,9-N,10-N,10-N-tetraphenylnaphtho[1,2-b][1]benzothiole-9,10-diamine
CID 169293357

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
The IUPAC name of N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine (CID 170675156) is N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine.
What is the SMILES notation for N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
The canonical SMILES for N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4c3sc3c5ccccc5ccc34)cc2)cc1.
What is the InChIKey of N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
The InChIKey is RJUHCQNUDBZTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-4-12-32(13-5-1)34-20-22-37(23-21-34)41-30-31-43(44-42-29-26-36-16-10-11-19-40(36)45(42)48-46(41)44)47(38-17-8-3-9-18-38)39-27-24-35(25-28-39)33-14-6-2-7-15-33/h1-31H.
What are the key properties of N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine has a molecular weight of 629.83 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine is sourced from PubChem (CID 170675156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).