N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine

C44H29NS — CID 167339317

IUPACN,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5sc6c7ccccc7cc(-c7ccccc7)c6c5c4)ccc3c2)cc1
InChIInChI=1S/C44H29NS/c1-4-12-30(13-5-1)32-20-21-34-27-37(23-22-33(34)26-32)45(36-17-8-3-9-18-36)38-24-25-42-41(29-38)43-40(31-14-6-2-7-15-31)28-35-16-10-11-19-39(35)44(43)46-42/h1-29H
InChIKeyCXEARUIMIXFCCE-UHFFFAOYSA-N
MW603.79 g/mol
LogP13.16
Rot. Bonds5

About N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine

N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine (PubChem CID 167339317) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine
PubChem CID167339317
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC NameN,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5sc6c7ccccc7cc(-c7ccccc7)c6c5c4)ccc3c2)cc1
InChIInChI=1S/C44H29NS/c1-4-12-30(13-5-1)32-20-21-34-27-37(23-22-33(34)26-32)45(36-17-8-3-9-18-36)38-24-25-42-41(29-38)43-40(31-14-6-2-7-15-31)28-35-16-10-11-19-39(35)44(43)46-42/h1-29H
InChIKeyCXEARUIMIXFCCE-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167339393
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167339243
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
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-benzo[g]phenanthren-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167182788
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
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-naphthalen-2-yl-16-phenyl-N-(4-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433154
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine?
The IUPAC name of N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine (CID 167339317) is N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine.
What is the SMILES notation for N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine?
The canonical SMILES for N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine is c1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5sc6c7ccccc7cc(-c7ccccc7)c6c5c4)ccc3c2)cc1.
What is the InChIKey of N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine?
The InChIKey is CXEARUIMIXFCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-4-12-30(13-5-1)32-20-21-34-27-37(23-22-33(34)26-32)45(36-17-8-3-9-18-36)38-24-25-42-41(29-38)43-40(31-14-6-2-7-15-31)28-35-16-10-11-19-39(35)44(43)46-42/h1-29H.
What are the key properties of N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine?
N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine has a molecular weight of 603.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine is sourced from PubChem (CID 167339317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).