N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine

C40H27NS — CID 170050252

IUPACN,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc4sc5c6ccccc6ccc5c34)c2)cc1
InChIInChI=1S/C40H27NS/c1-3-12-28(13-4-1)31-17-9-19-33(26-31)41(34-20-10-18-32(27-34)29-14-5-2-6-15-29)37-22-11-23-38-39(37)36-25-24-30-16-7-8-21-35(30)40(36)42-38/h1-27H
InChIKeyCQPVPAYXBXMEJH-UHFFFAOYSA-N
MW553.73 g/mol
LogP12.01
Rot. Bonds5

About N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine

N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine (PubChem CID 170050252) has the molecular formula C40H27NS and a molecular weight of 553.73 g/mol. Its IUPAC name is N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine.

Molecular Properties

Compound NameN,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
PubChem CID170050252
Molecular FormulaC40H27NS
Molecular Weight553.73 g/mol
Exact Mass553.19
IUPAC NameN,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc4sc5c6ccccc6ccc5c34)c2)cc1
InChIInChI=1S/C40H27NS/c1-3-12-28(13-4-1)31-17-9-19-33(26-31)41(34-20-10-18-32(27-34)29-14-5-2-6-15-29)37-22-11-23-38-39(37)36-25-24-30-16-7-8-21-35(30)40(36)42-38/h1-27H
InChIKeyCQPVPAYXBXMEJH-UHFFFAOYSA-N
XLogP12.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170272338
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167184559
N-chrysen-3-yl-N-phenylnaphtho[1,2-b][1]benzothiol-7-amine
CID 170140474
7-N,7-N,9-N-triphenyl-9-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856828
7-N-phenyl-9-N-(3-phenylphenyl)-7-N,9-N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856623
N-[2-[2-(N-dibenzothiophen-1-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167086900
N-benzo[c]phenanthren-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167184240
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-benzo[g]phenanthren-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167183460
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167183232

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
The IUPAC name of N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine (CID 170050252) is N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine.
What is the SMILES notation for N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
The canonical SMILES for N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc4sc5c6ccccc6ccc5c34)c2)cc1.
What is the InChIKey of N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
The InChIKey is CQPVPAYXBXMEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NS/c1-3-12-28(13-4-1)31-17-9-19-33(26-31)41(34-20-10-18-32(27-34)29-14-5-2-6-15-29)37-22-11-23-38-39(37)36-25-24-30-16-7-8-21-35(30)40(36)42-38/h1-27H.
What are the key properties of N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine?
N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine has a molecular weight of 553.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine is sourced from PubChem (CID 170050252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).