N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine

C34H23NS — CID 118616822

IUPACN-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(Nc4ccc5c(c4)sc4ccc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C34H23NS/c1-2-7-23(8-3-1)26-10-6-11-27(21-26)24-13-16-28(17-14-24)35-29-18-19-31-33(22-29)36-32-20-15-25-9-4-5-12-30(25)34(31)32/h1-22,35H
InChIKeyWVNKGBLSOPNMSM-UHFFFAOYSA-N
MW477.63 g/mol
LogP10.29
Rot. Bonds4

About N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine

N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine (PubChem CID 118616822) has the molecular formula C34H23NS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine.

Molecular Properties

Compound NameN-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
PubChem CID118616822
Molecular FormulaC34H23NS
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC NameN-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(Nc4ccc5c(c4)sc4ccc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C34H23NS/c1-2-7-23(8-3-1)26-10-6-11-27(21-26)24-13-16-28(17-14-24)35-29-18-19-31-33(22-29)36-32-20-15-25-9-4-5-12-30(25)34(31)32/h1-22,35H
InChIKeyWVNKGBLSOPNMSM-UHFFFAOYSA-N
XLogP10.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 510.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-(4-bromophenyl)phenyl]naphtho[2,1-b][1]benzothiole
CID 118616526
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 158828181
10-(3-triphenylen-2-ylphenyl)naphtho[2,1-b][1]benzothiole
CID 155401269
10-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;N-(4-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-4-phenylaniline;4-phenylaniline
CID 157289320
9-pyren-2-ylnaphtho[2,1-b][1]benzothiole
CID 139341390
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine
CID 166042775
19-[3-(10-phenylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 130190851
10-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzothiole
CID 122426548
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190927
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
CID 118683821

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine?
The IUPAC name of N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine (CID 118616822) is N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine.
What is the SMILES notation for N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine?
The canonical SMILES for N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine is c1ccc(-c2cccc(-c3ccc(Nc4ccc5c(c4)sc4ccc6ccccc6c45)cc3)c2)cc1.
What is the InChIKey of N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine?
The InChIKey is WVNKGBLSOPNMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS/c1-2-7-23(8-3-1)26-10-6-11-27(21-26)24-13-16-28(17-14-24)35-29-18-19-31-33(22-29)36-32-20-15-25-9-4-5-12-30(25)34(31)32/h1-22,35H.
What are the key properties of N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine?
N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine has a molecular weight of 477.63 g/mol, XLogP of 10.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine is sourced from PubChem (CID 118616822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).