N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

C48H32N2S — CID 155396635

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-2-10-33(11-3-1)34-18-24-37(25-19-34)49(40-30-31-44-43-14-6-9-17-47(43)51-48(44)32-40)38-26-20-35(21-27-38)36-22-28-39(29-23-36)50-45-15-7-4-12-41(45)42-13-5-8-16-46(42)50/h1-32H
InChIKeyRFNOBYSLOXFVRM-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 155396635) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID155396635
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-2-10-33(11-3-1)34-18-24-37(25-19-34)49(40-30-31-44-43-14-6-9-17-47(43)51-48(44)32-40)38-26-20-35(21-27-38)36-22-28-39(29-23-36)50-45-15-7-4-12-41(45)42-13-5-8-16-46(42)50/h1-32H
InChIKeyRFNOBYSLOXFVRM-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-[4-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 118505674
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 155396635) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is RFNOBYSLOXFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-2-10-33(11-3-1)34-18-24-37(25-19-34)49(40-30-31-44-43-14-6-9-17-47(43)51-48(44)32-40)38-26-20-35(21-27-38)36-22-28-39(29-23-36)50-45-15-7-4-12-41(45)42-13-5-8-16-46(42)50/h1-32H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 155396635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).