9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole

C38H30N2 — CID 166750088

IUPAC9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
SMILESC=C1/C=C\C=C/CN(c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2C)c2ccccc21
InChIInChI=1S/C38H30N2/c1-27-13-4-3-11-24-39(35-19-8-5-16-32(27)35)38-26-30(23-22-28(38)2)29-14-12-15-31(25-29)40-36-20-9-6-17-33(36)34-18-7-10-21-37(34)40/h3-23,25-26H,1,24H2,2H3/b11-3-,13-4-
InChIKeyDYXAQDVTICYNSH-ZIKUZQQUSA-N
MW514.67 g/mol
LogP10.04
Rot. Bonds3

About 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole

9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole (PubChem CID 166750088) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
PubChem CID166750088
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
SMILESC=C1/C=C\C=C/CN(c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2C)c2ccccc21
InChIInChI=1S/C38H30N2/c1-27-13-4-3-11-24-39(35-19-8-5-16-32(27)35)38-26-30(23-22-28(38)2)29-14-12-15-31(25-29)40-36-20-9-6-17-33(36)34-18-7-10-21-37(34)40/h3-23,25-26H,1,24H2,2H3/b11-3-,13-4-
InChIKeyDYXAQDVTICYNSH-ZIKUZQQUSA-N
XLogP10.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole 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-carbazol-9-yl-10-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-15-(3-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137680
9-[3-[4-[3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 122666790
9-[3-methyl-4-[2-methyl-4-[(3Z,5Z)-7-methylidene-9-pyridin-4-yl-2H-1-benzazonin-1-yl]phenyl]phenyl]-3-pyridin-4-ylcarbazole
CID 122518938
9-(9,9-dimethylfluoren-2-yl)-3-[(3Z,5Z)-1-(9,9-dimethylfluoren-2-yl)-7-methylidene-2H-1-benzazonin-9-yl]carbazole
CID 130244452
3-[(3Z,5Z)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-methylidene-2H-1-benzazonin-10-yl]-9-naphthalen-2-ylcarbazole
CID 118220695
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
CID 89493771
3-[(3Z,5Z)-1-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-naphthalen-1-ylcarbazole
CID 118349941
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170005906
4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 121420350
9-[4-[4-[9-[4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]carbazole
CID 121346503
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole (CID 166750088) is 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole is C=C1/C=C\C=C/CN(c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2C)c2ccccc21.
What is the InChIKey of 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
The InChIKey is DYXAQDVTICYNSH-ZIKUZQQUSA-N. The full InChI is InChI=1S/C38H30N2/c1-27-13-4-3-11-24-39(35-19-8-5-16-32(27)35)38-26-30(23-22-28(38)2)29-14-12-15-31(25-29)40-36-20-9-6-17-33(36)34-18-7-10-21-37(34)40/h3-23,25-26H,1,24H2,2H3/b11-3-,13-4-.
What are the key properties of 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole?
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole has a molecular weight of 514.67 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 166750088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).