9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine

C42H32N2 — CID 145377441

IUPAC9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESC1=C(c2ccccc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)=C1
InChIInChI=1S/C42H32N2/c1-4-12-31(13-5-1)33-20-24-36(25-21-33)43(37-26-22-34(23-27-37)32-14-6-2-7-15-32)38-28-29-40-39-18-10-11-19-41(39)44(42(40)30-38)35-16-8-3-9-17-35/h1-22,24-26,28-30H,23,27H2
InChIKeyDPWKJRLUGVPDCQ-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.35
Rot. Bonds6

About 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine

9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 145377441) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID145377441
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESC1=C(c2ccccc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)=C1
InChIInChI=1S/C42H32N2/c1-4-12-31(13-5-1)33-20-24-36(25-21-33)43(37-26-22-34(23-27-37)32-14-6-2-7-15-32)38-28-29-40-39-18-10-11-19-41(39)44(42(40)30-38)35-16-8-3-9-17-35/h1-22,24-26,28-30H,23,27H2
InChIKeyDPWKJRLUGVPDCQ-UHFFFAOYSA-N
XLogP11.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 130390595
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine
CID 130453118

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine (CID 145377441) is 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine is C1=C(c2ccccc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)=C1.
What is the InChIKey of 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is DPWKJRLUGVPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-4-12-31(13-5-1)33-20-24-36(25-21-33)43(37-26-22-34(23-27-37)32-14-6-2-7-15-32)38-28-29-40-39-18-10-11-19-41(39)44(42(40)30-38)35-16-8-3-9-17-35/h1-22,24-26,28-30H,23,27H2.
What are the key properties of 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine?
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 564.73 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 145377441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).