N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline

C43H33NO — CID 170249991

IUPACN-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4CO5)c3)c2)=CCC1
InChIInChI=1S/C43H33NO/c1-3-12-31(13-4-1)33-24-26-37(27-25-33)44(38-19-9-17-34(28-38)32-14-5-2-6-15-32)39-20-10-18-35(29-39)40-22-11-23-42-43(40)41-21-8-7-16-36(41)30-45-42/h1,3-5,7-29H,2,6,30H2
InChIKeyQTEZNJMUKRJZQU-UHFFFAOYSA-N
MW579.74 g/mol
LogP11.78
Rot. Bonds6

About N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline

N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline (PubChem CID 170249991) has the molecular formula C43H33NO and a molecular weight of 579.74 g/mol. Its IUPAC name is N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline
PubChem CID170249991
Molecular FormulaC43H33NO
Molecular Weight579.74 g/mol
Exact Mass579.26
IUPAC NameN-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4CO5)c3)c2)=CCC1
InChIInChI=1S/C43H33NO/c1-3-12-31(13-4-1)33-24-26-37(27-25-33)44(38-19-9-17-34(28-38)32-14-5-2-6-15-32)39-20-10-18-35(29-39)40-22-11-23-42-43(40)41-21-8-7-16-36(41)30-45-42/h1,3-5,7-29H,2,6,30H2
InChIKeyQTEZNJMUKRJZQU-UHFFFAOYSA-N
XLogP11.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-N,3-dimethylaniline
CID 143685243
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
but-2-ene;N-(3-cyclohexa-1,5-dien-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 144590575
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 138495108
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
CID 156558918

Frequently Asked Questions

What is the IUPAC name of N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline (CID 170249991) is N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline is C1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4CO5)c3)c2)=CCC1.
What is the InChIKey of N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline?
The InChIKey is QTEZNJMUKRJZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33NO/c1-3-12-31(13-4-1)33-24-26-37(27-25-33)44(38-19-9-17-34(28-38)32-14-5-2-6-15-32)39-20-10-18-35(29-39)40-22-11-23-42-43(40)41-21-8-7-16-36(41)30-45-42/h1,3-5,7-29H,2,6,30H2.
What are the key properties of N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline?
N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline has a molecular weight of 579.74 g/mol, XLogP of 11.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170249991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).