N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine

C44H32N2 — CID 167157236

IUPACN-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3c(ccc4c5ccccc5n(-c5ccccc5)c34)c2)CC=C1c1ccc2ccccc2c1
InChIInChI=1S/C44H32N2/c1-3-13-36(14-4-1)45(38-24-21-32(22-25-38)34-20-19-31-11-7-8-12-33(31)29-34)39-26-28-40-35(30-39)23-27-42-41-17-9-10-18-43(41)46(44(40)42)37-15-5-2-6-16-37/h1-24,26-30,38H,25H2
InChIKeySEZRIGCUEXCRBR-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.64
Rot. Bonds5

About N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine

N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine (PubChem CID 167157236) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
PubChem CID167157236
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC NameN-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3c(ccc4c5ccccc5n(-c5ccccc5)c34)c2)CC=C1c1ccc2ccccc2c1
InChIInChI=1S/C44H32N2/c1-3-13-36(14-4-1)45(38-24-21-32(22-25-38)34-20-19-31-11-7-8-12-33(31)29-34)39-26-28-40-35(30-39)23-27-42-41-17-9-10-18-43(41)46(44(40)42)37-15-5-2-6-16-37/h1-24,26-30,38H,25H2
InChIKeySEZRIGCUEXCRBR-UHFFFAOYSA-N
XLogP11.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
CID 146186880
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
CID 139339392
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-4-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-5-amine
CID 159554743
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
CID 163777791
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-1-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 163713790
7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170363156

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine (CID 167157236) is N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine is C1=CC(N(c2ccccc2)c2ccc3c(ccc4c5ccccc5n(-c5ccccc5)c34)c2)CC=C1c1ccc2ccccc2c1.
What is the InChIKey of N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine?
The InChIKey is SEZRIGCUEXCRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-3-13-36(14-4-1)45(38-24-21-32(22-25-38)34-20-19-31-11-7-8-12-33(31)29-34)39-26-28-40-35(30-39)23-27-42-41-17-9-10-18-43(41)46(44(40)42)37-15-5-2-6-16-37/h1-24,26-30,38H,25H2.
What are the key properties of N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine?
N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine has a molecular weight of 588.75 g/mol, XLogP of 11.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine is sourced from PubChem (CID 167157236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).