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

C49H38N4 — CID 122518938

IUPAC9-[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
SMILESC=C1/C=C\C=C/CN(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccncc6)ccc54)cc3C)c(C)c2)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C49H38N4/c1-33-9-5-4-8-28-52(47-18-12-38(31-45(33)47)36-20-24-50-25-21-36)40-14-16-42(34(2)29-40)43-17-15-41(30-35(43)3)53-48-11-7-6-10-44(48)46-32-39(13-19-49(46)53)37-22-26-51-27-23-37/h4-27,29-32H,1,28H2,2-3H3/b8-4-,9-5-
InChIKeyLORWRDWTSQDKNY-XEQVNJCQSA-N
MW682.87 g/mol
LogP12.47
Rot. Bonds5

About 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

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 (PubChem CID 122518938) has the molecular formula C49H38N4 and a molecular weight of 682.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID122518938
Molecular FormulaC49H38N4
Molecular Weight682.87 g/mol
Exact Mass682.31
IUPAC Name9-[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
SMILESC=C1/C=C\C=C/CN(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccncc6)ccc54)cc3C)c(C)c2)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C49H38N4/c1-33-9-5-4-8-28-52(47-18-12-38(31-45(33)47)36-20-24-50-25-21-36)40-14-16-42(34(2)29-40)43-17-15-41(30-35(43)3)53-48-11-7-6-10-44(48)46-32-39(13-19-49(46)53)37-22-26-51-27-23-37/h4-27,29-32H,1,28H2,2-3H3/b8-4-,9-5-
InChIKeyLORWRDWTSQDKNY-XEQVNJCQSA-N
XLogP12.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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

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
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
3-[(3Z,5Z)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-methylidene-2H-1-benzazonin-10-yl]-9-naphthalen-2-ylcarbazole
CID 118220695
4-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]-12-(9-phenylcarbazol-3-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118518536
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
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
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
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
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
3-[9-[4-[(6Z,8Z)-11,11-dimethyl-5-methylidene-10H-benzo[9]annulen-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118198571
3-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-9-phenylcarbazole
CID 156643406
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1/C=C\C=C/CN(c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccncc6)ccc54)cc3C)c(C)c2)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 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?
The InChIKey is LORWRDWTSQDKNY-XEQVNJCQSA-N. The full InChI is InChI=1S/C49H38N4/c1-33-9-5-4-8-28-52(47-18-12-38(31-45(33)47)36-20-24-50-25-21-36)40-14-16-42(34(2)29-40)43-17-15-41(30-35(43)3)53-48-11-7-6-10-44(48)46-32-39(13-19-49(46)53)37-22-26-51-27-23-37/h4-27,29-32H,1,28H2,2-3H3/b8-4-,9-5-.
What are the key properties of 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?
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 has a molecular weight of 682.87 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122518938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).