3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline

C42H32N2 — CID 155205314

IUPAC3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESC1=CC2c3ccccc3N(c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)C2C=C1
InChIInChI=1S/C42H32N2/c1-3-12-31(13-4-1)33-22-26-35(27-23-33)43(36-28-24-34(25-29-36)32-14-5-2-6-15-32)37-16-11-17-38(30-37)44-41-20-9-7-18-39(41)40-19-8-10-21-42(40)44/h1-30,39,41H
InChIKeyPHQLLCSHHMWIMD-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.22
Rot. Bonds6

About 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline

3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 155205314) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID155205314
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESC1=CC2c3ccccc3N(c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)C2C=C1
InChIInChI=1S/C42H32N2/c1-3-12-31(13-4-1)33-22-26-35(27-23-33)43(36-28-24-34(25-29-36)32-14-5-2-6-15-32)37-16-11-17-38(30-37)44-41-20-9-7-18-39(41)40-19-8-10-21-42(40)44/h1-30,39,41H
InChIKeyPHQLLCSHHMWIMD-UHFFFAOYSA-N
XLogP11.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
CID 88967344
CID 88967344
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
N-(3,4-diphenylphenyl)-11-phenyl-N-(4-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-3-amine
CID 175614803
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839
6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
CID 123494743
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-9,9-dimethyl-7-(2-methyl-10-phenylanthracen-9-yl)-N-phenylfluoren-2-amine
CID 89196889

Frequently Asked Questions

What is the IUPAC name of 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline (CID 155205314) is 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline is C1=CC2c3ccccc3N(c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)C2C=C1.
What is the InChIKey of 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is PHQLLCSHHMWIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-3-12-31(13-4-1)33-22-26-35(27-23-33)43(36-28-24-34(25-29-36)32-14-5-2-6-15-32)37-16-11-17-38(30-37)44-41-20-9-7-18-39(41)40-19-8-10-21-42(40)44/h1-30,39,41H.
What are the key properties of 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline?
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 564.73 g/mol, XLogP of 11.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 155205314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).