N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine

C41H28N2S — CID 166861757

IUPACN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(cn4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2S/c1-3-9-29(10-4-1)31-15-17-32(18-16-31)34-21-25-36(26-22-34)43(35-23-19-33(20-24-35)30-11-5-2-6-12-30)41-27-38-37-13-7-8-14-39(37)44-40(38)28-42-41/h1-28H
InChIKeyWXIWKNFKIMJCOP-UHFFFAOYSA-N
MW580.76 g/mol
LogP11.92
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine (PubChem CID 166861757) has the molecular formula C41H28N2S and a molecular weight of 580.76 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine
PubChem CID166861757
Molecular FormulaC41H28N2S
Molecular Weight580.76 g/mol
Exact Mass580.20
IUPAC NameN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(cn4)sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2S/c1-3-9-29(10-4-1)31-15-17-32(18-16-31)34-21-25-36(26-22-34)43(35-23-19-33(20-24-35)30-11-5-2-6-12-30)41-27-38-37-13-7-8-14-39(37)44-40(38)28-42-41/h1-28H
InChIKeyWXIWKNFKIMJCOP-UHFFFAOYSA-N
XLogP11.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.76
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-3-amine
CID 166861794
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine (CID 166861757) is N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c(cn4)sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine?
The InChIKey is WXIWKNFKIMJCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2S/c1-3-9-29(10-4-1)31-15-17-32(18-16-31)34-21-25-36(26-22-34)43(35-23-19-33(20-24-35)30-11-5-2-6-12-30)41-27-38-37-13-7-8-14-39(37)44-40(38)28-42-41/h1-28H.
What are the key properties of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine?
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine has a molecular weight of 580.76 g/mol, XLogP of 11.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 166861757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).