6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine

C46H31NS — CID 169280394

IUPAC6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)c4c5ccccc5sc4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-4-14-32(15-5-1)34-24-28-37(29-25-34)47(38-30-26-35(27-31-38)33-16-6-2-7-17-33)45-39-20-10-11-21-40(39)46-44(41-22-12-13-23-42(41)48-46)43(45)36-18-8-3-9-19-36/h1-31H
InChIKeyLNNSYUBVTGJJAW-UHFFFAOYSA-N
MW629.83 g/mol
LogP13.68
Rot. Bonds6

About 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine

6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine (PubChem CID 169280394) has the molecular formula C46H31NS and a molecular weight of 629.83 g/mol. Its IUPAC name is 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine.

Molecular Properties

Compound Name6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
PubChem CID169280394
Molecular FormulaC46H31NS
Molecular Weight629.83 g/mol
Exact Mass629.22
IUPAC Name6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)c4c5ccccc5sc4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31NS/c1-4-14-32(15-5-1)34-24-28-37(29-25-34)47(38-30-26-35(27-31-38)33-16-6-2-7-17-33)45-39-20-10-11-21-40(39)46-44(41-22-12-13-23-42(41)48-46)43(45)36-18-8-3-9-19-36/h1-31H
InChIKeyLNNSYUBVTGJJAW-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

N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280424
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
CID 169280526
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280675
N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
CID 169280735
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280868
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280286
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
3-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280771
N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435085
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
The IUPAC name of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine (CID 169280394) is 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine.
What is the SMILES notation for 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
The canonical SMILES for 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c(-c4ccccc4)c4c5ccccc5sc4c4ccccc34)cc2)cc1.
What is the InChIKey of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
The InChIKey is LNNSYUBVTGJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NS/c1-4-14-32(15-5-1)34-24-28-37(29-25-34)47(38-30-26-35(27-31-38)33-16-6-2-7-17-33)45-39-20-10-11-21-40(39)46-44(41-22-12-13-23-42(41)48-46)43(45)36-18-8-3-9-19-36/h1-31H.
What are the key properties of 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-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 6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine is sourced from PubChem (CID 169280394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).