N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

C48H32N2S — CID 170666339

IUPACN-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-14-33(15-4-1)34-28-30-37(31-29-34)49(38-19-11-16-35(32-38)39-22-12-24-43-41-21-8-10-27-46(41)51-48(39)43)45-26-13-23-42-40-20-7-9-25-44(40)50(47(42)45)36-17-5-2-6-18-36/h1-32H
InChIKeyMIKUXZOIZYIMFU-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (PubChem CID 170666339) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
PubChem CID170666339
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-14-33(15-4-1)34-28-30-37(31-29-34)49(38-19-11-16-35(32-38)39-22-12-24-43-41-21-8-10-27-46(41)51-48(39)43)45-26-13-23-42-40-20-7-9-25-44(40)50(47(42)45)36-17-5-2-6-18-36/h1-32H
InChIKeyMIKUXZOIZYIMFU-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

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Related Compounds

N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-1-amine;N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine;9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
CID 164984088
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170042316
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501679
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172500763
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
CID 164790635
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170665643
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (CID 170666339) is N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The InChIKey is MIKUXZOIZYIMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-14-33(15-4-1)34-28-30-37(31-29-34)49(38-19-11-16-35(32-38)39-22-12-24-43-41-21-8-10-27-46(41)51-48(39)43)45-26-13-23-42-40-20-7-9-25-44(40)50(47(42)45)36-17-5-2-6-18-36/h1-32H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-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-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 170666339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).