2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

C54H36N2S — CID 118505838

IUPAC2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c5c4)c3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-14-37(15-4-1)38-26-29-43(30-27-38)55(42-18-5-2-6-19-42)50-23-10-7-20-45(50)41-17-13-16-39(34-41)40-28-32-47-46-21-8-11-24-51(46)56(52(47)35-40)44-31-33-49-48-22-9-12-25-53(48)57-54(49)36-44/h1-36H
InChIKeyAIULVFDUXBPMIB-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118505838) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118505838
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c5c4)c3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-14-37(15-4-1)38-26-29-43(30-27-38)55(42-18-5-2-6-19-42)50-23-10-7-20-45(50)41-17-13-16-39(34-41)40-28-32-47-46-21-8-11-24-51(46)56(52(47)35-40)44-31-33-49-48-22-9-12-25-53(48)57-54(49)36-44/h1-36H
InChIKeyAIULVFDUXBPMIB-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 118086518
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118086514
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 90372072
N-[4-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 118505674
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (CID 118505838) is 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c5c4)c3)cc2)cc1.
What is the InChIKey of 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AIULVFDUXBPMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-14-37(15-4-1)38-26-29-43(30-27-38)55(42-18-5-2-6-19-42)50-23-10-7-20-45(50)41-17-13-16-39(34-41)40-28-32-47-46-21-8-11-24-51(46)56(52(47)35-40)44-31-33-49-48-22-9-12-25-53(48)57-54(49)36-44/h1-36H.
What are the key properties of 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-dibenzothiophen-3-ylcarbazol-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118505838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).