2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete

C28H25N — CID 145197061

IUPAC2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete
SMILESCN1C=CC1c1cccc(-c2cccc(-c3cccc(C4C=CC=CC4)c3)c2)c1
InChIInChI=1S/C28H25N/c1-29-17-16-28(29)27-15-7-14-26(20-27)25-13-6-12-24(19-25)23-11-5-10-22(18-23)21-8-3-2-4-9-21/h2-8,10-21,28H,9H2,1H3
InChIKeyRPRYCUGFRPJMON-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.12
Rot. Bonds4

About 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete

2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete (PubChem CID 145197061) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete.

Molecular Properties

Compound Name2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete
PubChem CID145197061
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete
SMILESCN1C=CC1c1cccc(-c2cccc(-c3cccc(C4C=CC=CC4)c3)c2)c1
InChIInChI=1S/C28H25N/c1-29-17-16-28(29)27-15-7-14-26(20-27)25-13-6-12-24(19-25)23-11-5-10-22(18-23)21-8-3-2-4-9-21/h2-8,10-21,28H,9H2,1H3
InChIKeyRPRYCUGFRPJMON-UHFFFAOYSA-N
XLogP7.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
9-[3-(6-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848226
2-[4-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 145430340
1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
CID 13139025
1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene
CID 174755041
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
(4-cyclohexa-2,4-dien-1-ylphenyl)-methylazanium
CID 145025036
9-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazole-3-carbonitrile
CID 118686626

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete?
The IUPAC name of 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete (CID 145197061) is 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete.
What is the SMILES notation for 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete?
The canonical SMILES for 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete is CN1C=CC1c1cccc(-c2cccc(-c3cccc(C4C=CC=CC4)c3)c2)c1.
What is the InChIKey of 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete?
The InChIKey is RPRYCUGFRPJMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-29-17-16-28(29)27-15-7-14-26(20-27)25-13-6-12-24(19-25)23-11-5-10-22(18-23)21-8-3-2-4-9-21/h2-8,10-21,28H,9H2,1H3.
What are the key properties of 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete?
2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete has a molecular weight of 375.52 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]phenyl]-1-methyl-2H-azete is sourced from PubChem (CID 145197061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).