N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine

C50H33NS — CID 167339393

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4sc5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)cc2)cc1
InChIInChI=1S/C50H33NS/c1-3-11-34(12-4-1)36-19-22-38(23-20-36)46-32-41-15-9-10-18-45(41)50-49(46)47-33-44(29-30-48(47)52-50)51(42-16-5-2-6-17-42)43-27-25-37(26-28-43)40-24-21-35-13-7-8-14-39(35)31-40/h1-33H
InChIKeyCVOFTFIYBPWAQL-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine

N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine (PubChem CID 167339393) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
PubChem CID167339393
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4sc5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)cc2)cc1
InChIInChI=1S/C50H33NS/c1-3-11-34(12-4-1)36-19-22-38(23-20-36)46-32-41-15-9-10-18-45(41)50-49(46)47-33-44(29-30-48(47)52-50)51(42-16-5-2-6-17-42)43-27-25-37(26-28-43)40-24-21-35-13-7-8-14-39(35)31-40/h1-33H
InChIKeyCVOFTFIYBPWAQL-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167339317
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167339243
6-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167339251
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489
N-[3-[3-(4-naphtho[1,2-b][1]benzothiol-6-yl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-7-phenylphenanthren-2-amine
CID 167086766
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
3-N-[3-naphthalen-2-yl-5-(N-phenylanilino)phenyl]-1-N,1-N,5-triphenyl-3-N-(8-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 134198236
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167182788
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine (CID 167339393) is N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4sc5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
The InChIKey is CVOFTFIYBPWAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-11-34(12-4-1)36-19-22-38(23-20-36)46-32-41-15-9-10-18-45(41)50-49(46)47-33-44(29-30-48(47)52-50)51(42-16-5-2-6-17-42)43-27-25-37(26-28-43)40-24-21-35-13-7-8-14-39(35)31-40/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine is sourced from PubChem (CID 167339393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).