N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine

C42H27NS — CID 170272726

IUPACN-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine
SMILESc1ccc2cc3c(cc2c1)sc1c(N(c2ccc(-c4cccc5ccccc45)cc2)c2cccc4ccccc24)cccc13
InChIInChI=1S/C42H27NS/c1-2-13-32-27-41-38(26-31(32)12-1)37-19-9-21-40(42(37)44-41)43(39-20-8-15-29-11-4-6-17-36(29)39)33-24-22-30(23-25-33)35-18-7-14-28-10-3-5-16-34(28)35/h1-27H
InChIKeyHQKFWSCEQIBORK-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.65
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine

N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine (PubChem CID 170272726) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine
PubChem CID170272726
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC NameN-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine
SMILESc1ccc2cc3c(cc2c1)sc1c(N(c2ccc(-c4cccc5ccccc45)cc2)c2cccc4ccccc24)cccc13
InChIInChI=1S/C42H27NS/c1-2-13-32-27-41-38(26-31(32)12-1)37-19-9-21-40(42(37)44-41)43(39-20-8-15-29-11-4-6-17-36(29)39)33-24-22-30(23-25-33)35-18-7-14-28-10-3-5-16-34(28)35/h1-27H
InChIKeyHQKFWSCEQIBORK-UHFFFAOYSA-N
XLogP12.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
1-N,6-N-di(dibenzothiophen-4-yl)-1-N-naphthalen-1-yl-6-N-(4-naphthalen-1-ylphenyl)pyrene-1,6-diamine
CID 169054144
N-[3-[2-[N,3-bis(2-phenylphenyl)anilino]phenyl]phenyl]-N-(4-naphtho[2,3-b][1]benzothiol-4-ylphenyl)-2-phenylaniline
CID 167086723
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-(2-dibenzothiophen-4-ylphenyl)-2-(2-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326153
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 170272717

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine (CID 170272726) is N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine is c1ccc2cc3c(cc2c1)sc1c(N(c2ccc(-c4cccc5ccccc45)cc2)c2cccc4ccccc24)cccc13.
What is the InChIKey of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine?
The InChIKey is HQKFWSCEQIBORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-2-13-32-27-41-38(26-31(32)12-1)37-19-9-21-40(42(37)44-41)43(39-20-8-15-29-11-4-6-17-36(29)39)33-24-22-30(23-25-33)35-18-7-14-28-10-3-5-16-34(28)35/h1-27H.
What are the key properties of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine?
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine has a molecular weight of 577.75 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-4-amine is sourced from PubChem (CID 170272726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).