4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline

C42H30N2 — CID 169010334

IUPAC4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cccc3c2c2ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H30N2/c1-5-14-32(15-6-1)38-22-13-23-40-42(38)39-29-26-33(30-41(39)44(40)36-20-11-4-12-21-36)31-24-27-37(28-25-31)43(34-16-7-2-8-17-34)35-18-9-3-10-19-35/h1-30H
InChIKeyVXILIRYRVRJNFL-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.59
Rot. Bonds6

About 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline

4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline (PubChem CID 169010334) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
PubChem CID169010334
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cccc3c2c2ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H30N2/c1-5-14-32(15-6-1)38-22-13-23-40-42(38)39-29-26-33(30-41(39)44(40)36-20-11-4-12-21-36)31-24-27-37(28-25-31)43(34-16-7-2-8-17-34)35-18-9-3-10-19-35/h1-30H
InChIKeyVXILIRYRVRJNFL-UHFFFAOYSA-N
XLogP11.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601

Frequently Asked Questions

What is the IUPAC name of 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline (CID 169010334) is 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline is c1ccc(-c2cccc3c2c2ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline?
The InChIKey is VXILIRYRVRJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-5-14-32(15-6-1)38-22-13-23-40-42(38)39-29-26-33(30-41(39)44(40)36-20-11-4-12-21-36)31-24-27-37(28-25-31)43(34-16-7-2-8-17-34)35-18-9-3-10-19-35/h1-30H.
What are the key properties of 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline?
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline has a molecular weight of 562.72 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 169010334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).