11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole

C36H31N3 — CID 144943011

IUPAC11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole
SMILESCC1CC=CC=C1C1=Nc2ccccc2NC1n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C36H31N3/c1-22-12-4-5-13-23(22)34-35(38-31-18-10-9-17-30(31)37-34)39-32-19-11-7-15-25(32)27-20-29-26(21-33(27)39)24-14-6-8-16-28(24)36(29,2)3/h4-11,13-22,35,38H,12H2,1-3H3
InChIKeyYSKQQLRXULTTLM-UHFFFAOYSA-N
MW505.67 g/mol
LogP9.32
Rot. Bonds2

About 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole

11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole (PubChem CID 144943011) has the molecular formula C36H31N3 and a molecular weight of 505.67 g/mol. Its IUPAC name is 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole
PubChem CID144943011
Molecular FormulaC36H31N3
Molecular Weight505.67 g/mol
Exact Mass505.25
IUPAC Name11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole
SMILESCC1CC=CC=C1C1=Nc2ccccc2NC1n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C36H31N3/c1-22-12-4-5-13-23(22)34-35(38-31-18-10-9-17-30(31)37-34)39-32-19-11-7-15-25(32)27-20-29-26(21-33(27)39)24-14-6-8-16-28(24)36(29,2)3/h4-11,13-22,35,38H,12H2,1-3H3
InChIKeyYSKQQLRXULTTLM-UHFFFAOYSA-N
XLogP9.32
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.67
LogP ≤ 59.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]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

11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole
CID 118508764
5-[3-(11,11-dimethyl-4,4a-dihydroindeno[1,2-b]carbazol-5-yl)-6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-2-pyridinyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 163419050
5-[2-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-3,4-dihydroindeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
CID 146185210
7-[4-(9,9-dimethylfluoren-2-yl)-2-methyl-1H-quinazolin-2-yl]-9-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole
CID 144868623
7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146337596
22-(5,6-dihydrophenanthridin-6-yl)-14,14-dimethyl-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
CID 129310702
5-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-1,3-diazabicyclo[3.1.0]hex-3-en-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118507047
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 86664282
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
2-cyclohexa-1,5-dien-1-yl-5-(4,6-diphenyl-1,3,5-triazinan-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 145067902

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole (CID 144943011) is 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole is CC1CC=CC=C1C1=Nc2ccccc2NC1n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C.
What is the InChIKey of 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole?
The InChIKey is YSKQQLRXULTTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N3/c1-22-12-4-5-13-23(22)34-35(38-31-18-10-9-17-30(31)37-34)39-32-19-11-7-15-25(32)27-20-29-26(21-33(27)39)24-14-6-8-16-28(24)36(29,2)3/h4-11,13-22,35,38H,12H2,1-3H3.
What are the key properties of 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole?
11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole has a molecular weight of 505.67 g/mol, XLogP of 9.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole is sourced from PubChem (CID 144943011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).