N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine

C46H30N2S — CID 155396619

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)cc2)c1
InChIInChI=1S/C46H30N2S/c1-2-13-33-30-35(29-24-31(33)12-1)47(43-21-11-23-45-46(43)39-17-6-10-22-44(39)49-45)34-27-25-32(26-28-34)36-14-3-7-18-40(36)48-41-19-8-4-15-37(41)38-16-5-9-20-42(38)48/h1-30H
InChIKeyKJXLUBDKARSQNW-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine (PubChem CID 155396619) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
PubChem CID155396619
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)cc2)c1
InChIInChI=1S/C46H30N2S/c1-2-13-33-30-35(29-24-31(33)12-1)47(43-21-11-23-45-46(43)39-17-6-10-22-44(39)49-45)34-27-25-32(26-28-34)36-14-3-7-18-40(36)48-41-19-8-4-15-37(41)38-16-5-9-20-42(38)48/h1-30H
InChIKeyKJXLUBDKARSQNW-UHFFFAOYSA-N
XLogP13.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 167322523
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 167322687
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322390
N-(4-carbazol-9-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167236455
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine
CID 167322830
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-cyclohexa-1,3-dien-1-ylphenyl)dibenzothiophen-1-amine
CID 155396631
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 166565844

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine (CID 155396619) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)cc2)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine?
The InChIKey is KJXLUBDKARSQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-2-13-33-30-35(29-24-31(33)12-1)47(43-21-11-23-45-46(43)39-17-6-10-22-44(39)49-45)34-27-25-32(26-28-34)36-14-3-7-18-40(36)48-41-19-8-4-15-37(41)38-16-5-9-20-42(38)48/h1-30H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine is sourced from PubChem (CID 155396619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).