11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole

C47H39N3 — CID 87287282

IUPAC11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2C2C=Cc3c(n(-c4ccc(-c5nc(C6=CC=C(C7=CC=CCC7)CC6)c6ccccc6n5)cc4)c4ccccc34)C21
InChIInChI=1S/C47H39N3/c1-47(2)40-17-9-6-14-35(40)37-28-29-38-36-15-8-11-19-42(36)50(45(38)43(37)47)34-26-24-33(25-27-34)46-48-41-18-10-7-16-39(41)44(49-46)32-22-20-31(21-23-32)30-12-4-3-5-13-30/h3-4,6-12,14-20,22,24-29,37,43H,5,13,21,23H2,1-2H3
InChIKeyIZDXPPNPHNMZHB-UHFFFAOYSA-N
MW645.85 g/mol
LogP11.81
Rot. Bonds4

About 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole

11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole (PubChem CID 87287282) has the molecular formula C47H39N3 and a molecular weight of 645.85 g/mol. Its IUPAC name is 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole
PubChem CID87287282
Molecular FormulaC47H39N3
Molecular Weight645.85 g/mol
Exact Mass645.31
IUPAC Name11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2C2C=Cc3c(n(-c4ccc(-c5nc(C6=CC=C(C7=CC=CCC7)CC6)c6ccccc6n5)cc4)c4ccccc34)C21
InChIInChI=1S/C47H39N3/c1-47(2)40-17-9-6-14-35(40)37-28-29-38-36-15-8-11-19-42(36)50(45(38)43(37)47)34-26-24-33(25-27-34)46-48-41-18-10-7-16-39(41)44(49-46)32-22-20-31(21-23-32)30-12-4-3-5-13-30/h3-4,6-12,14-20,22,24-29,37,43H,5,13,21,23H2,1-2H3
InChIKeyIZDXPPNPHNMZHB-UHFFFAOYSA-N
XLogP11.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.85
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]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

2-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-5-phenyl-7a,8,9,12a-tetrahydro-[1]benzofuro[3,2-c]carbazole
CID 87287235
3-[9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(9,9-dimethyl-4a,9a-dihydrofluoren-1-yl)-2,3-dihydrocarbazole
CID 169037156
9-[4-[4-cyclohexa-1,3-dien-1-yl-6-(6,8-diphenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]-1-methyl-1,2-dihydrocarbazole
CID 170065557
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
12,12-dimethyl-8-(9-phenylcarbazol-3-yl)-11-[4-(4-phenylquinazolin-2-yl)phenyl]-6a,11a-dihydroindeno[2,1-a]carbazole
CID 67700976
9-[4-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
CID 71175979
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
3-(1,9b-dihydrodibenzothiophen-4-yl)-9-[4-[5-(5-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]quinazolin-2-yl]carbazole
CID 87160782
4-cyclohexa-1,3-dien-1-yl-2-phenyl-8-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 166726568
2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 146334331
3-[9-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 89431262

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole?
The IUPAC name of 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole (CID 87287282) is 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole?
The canonical SMILES for 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole is CC1(C)c2ccccc2C2C=Cc3c(n(-c4ccc(-c5nc(C6=CC=C(C7=CC=CCC7)CC6)c6ccccc6n5)cc4)c4ccccc34)C21.
What is the InChIKey of 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole?
The InChIKey is IZDXPPNPHNMZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N3/c1-47(2)40-17-9-6-14-35(40)37-28-29-38-36-15-8-11-19-42(36)50(45(38)43(37)47)34-26-24-33(25-27-34)46-48-41-18-10-7-16-39(41)44(49-46)32-22-20-31(21-23-32)30-12-4-3-5-13-30/h3-4,6-12,14-20,22,24-29,37,43H,5,13,21,23H2,1-2H3.
What are the key properties of 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole?
11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole has a molecular weight of 645.85 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)quinazolin-2-yl]phenyl]-12,12-dimethyl-4b,11b-dihydroindeno[2,1-a]carbazole is sourced from PubChem (CID 87287282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).