6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine

C42H28N2S — CID 90371880

IUPAC6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)cc2)cc1
InChIInChI=1S/C42H28N2S/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)38-22-12-24-40-41(38)35-19-11-23-39(42(35)45-40)44-36-20-9-7-17-33(36)34-18-8-10-21-37(34)44/h1-28H
InChIKeyJFYQXXHYCUWZEU-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.29
Rot. Bonds5

About 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine

6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 90371880) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID90371880
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC Name6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)cc2)cc1
InChIInChI=1S/C42H28N2S/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)38-22-12-24-40-41(38)35-19-11-23-39(42(35)45-40)44-36-20-9-7-17-33(36)34-18-8-10-21-37(34)44/h1-28H
InChIKeyJFYQXXHYCUWZEU-UHFFFAOYSA-N
XLogP12.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine;prop-1-ene
CID 144687649
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 90372072
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684
N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
CID 144844352
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170272338

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 90371880) is 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)cc2)cc1.
What is the InChIKey of 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is JFYQXXHYCUWZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)38-22-12-24-40-41(38)35-19-11-23-39(42(35)45-40)44-36-20-9-7-17-33(36)34-18-8-10-21-37(34)44/h1-28H.
What are the key properties of 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine?
6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 592.77 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 90371880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).