N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine

C39H27NS — CID 164774692

IUPACN-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C39H27NS/c1-26-17-20-29(21-18-26)40(30-22-23-34-33-14-6-7-16-37(33)41-38(34)25-30)36-24-19-28-10-3-5-13-32(28)39(36)35-15-8-11-27-9-2-4-12-31(27)35/h2-25H,1H3
InChIKeyAKDYGPLFLRYXIM-UHFFFAOYSA-N
MW541.72 g/mol
LogP11.81
Rot. Bonds4

About N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine

N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine (PubChem CID 164774692) has the molecular formula C39H27NS and a molecular weight of 541.72 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine
PubChem CID164774692
Molecular FormulaC39H27NS
Molecular Weight541.72 g/mol
Exact Mass541.19
IUPAC NameN-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C39H27NS/c1-26-17-20-29(21-18-26)40(30-22-23-34-33-14-6-7-16-37(33)41-38(34)25-30)36-24-19-28-10-3-5-13-32(28)39(36)35-15-8-11-27-9-2-4-12-31(27)35/h2-25H,1H3
InChIKeyAKDYGPLFLRYXIM-UHFFFAOYSA-N
XLogP11.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.72
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774916
bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)
CID 165020534
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N,N-bis(3-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774001
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 156522899
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
4-N-(9-methyldibenzothiophen-3-yl)-1-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177098553
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 163846166
1-naphthalen-1-yl-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 164774198
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine (CID 164774692) is N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine is Cc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
The InChIKey is AKDYGPLFLRYXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NS/c1-26-17-20-29(21-18-26)40(30-22-23-34-33-14-6-7-16-37(33)41-38(34)25-30)36-24-19-28-10-3-5-13-32(28)39(36)35-15-8-11-27-9-2-4-12-31(27)35/h2-25H,1H3.
What are the key properties of N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine has a molecular weight of 541.72 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 164774692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).