1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine

C48H32N2S — CID 156664554

IUPAC1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5sc6ccccc6c45)c4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C48H32N2S/c1-4-16-33(17-5-1)34-18-14-23-37(32-34)49(35-19-6-2-7-20-35)43-31-30-39(38-26-15-29-45-46(38)41-25-11-13-28-44(41)51-45)48-47(43)40-24-10-12-27-42(40)50(48)36-21-8-3-9-22-36/h1-32H
InChIKeyZOUQOQXDRHBGPV-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine

1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine (PubChem CID 156664554) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound Name1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine
PubChem CID156664554
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5sc6ccccc6c45)c4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C48H32N2S/c1-4-16-33(17-5-1)34-18-14-23-37(32-34)49(35-19-6-2-7-20-35)43-31-30-39(38-26-15-29-45-46(38)41-25-11-13-28-44(41)51-45)48-47(43)40-24-10-12-27-42(40)50(48)36-21-8-3-9-22-36/h1-32H
InChIKeyZOUQOQXDRHBGPV-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-(3-phenylphenyl)dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 164980163
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176609909
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 164997385
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 164995259
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 164957060
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 166847774
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 167230417
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine?
The IUPAC name of 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine (CID 156664554) is 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine?
The canonical SMILES for 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5sc6ccccc6c45)c4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine?
The InChIKey is ZOUQOQXDRHBGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-16-33(17-5-1)34-18-14-23-37(32-34)49(35-19-6-2-7-20-35)43-31-30-39(38-26-15-29-45-46(38)41-25-11-13-28-44(41)51-45)48-47(43)40-24-10-12-27-42(40)50(48)36-21-8-3-9-22-36/h1-32H.
What are the key properties of 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine?
1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-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 1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 156664554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).