12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole

C42H32N2O — CID 164933646

IUPAC12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole
SMILESc1cc(-c2ccccc2N2c3c(ccc4oc5ccccc5c34)C3CCCCC32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H32N2O/c1-6-19-35(44-38-22-9-4-17-32(38)33-24-25-40-41(42(33)44)34-18-5-10-23-39(34)45-40)29(14-1)27-12-11-13-28(26-27)43-36-20-7-2-15-30(36)31-16-3-8-21-37(31)43/h1-3,5-8,10-16,18-21,23-26,32,38H,4,9,17,22H2
InChIKeySXPLVQPVAMIQMK-UHFFFAOYSA-N
MW580.73 g/mol
LogP11.53
Rot. Bonds3

About 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole

12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole (PubChem CID 164933646) has the molecular formula C42H32N2O and a molecular weight of 580.73 g/mol. Its IUPAC name is 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole
PubChem CID164933646
Molecular FormulaC42H32N2O
Molecular Weight580.73 g/mol
Exact Mass580.25
IUPAC Name12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole
SMILESc1cc(-c2ccccc2N2c3c(ccc4oc5ccccc5c34)C3CCCCC32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H32N2O/c1-6-19-35(44-38-22-9-4-17-32(38)33-24-25-40-41(42(33)44)34-18-5-10-23-39(34)45-40)29(14-1)27-12-11-13-28(26-27)43-36-20-7-2-15-30(36)31-16-3-8-21-37(31)43/h1-3,5-8,10-16,18-21,23-26,32,38H,4,9,17,22H2
InChIKeySXPLVQPVAMIQMK-UHFFFAOYSA-N
XLogP11.53
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-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

7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
2-carbazol-9-yl-6-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 129290941
22-(3-fluoranthen-3-ylphenyl)-10-oxa-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 118581027
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162504557
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118580736
9-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137
12-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140794053

Frequently Asked Questions

What is the IUPAC name of 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole (CID 164933646) is 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole is c1cc(-c2ccccc2N2c3c(ccc4oc5ccccc5c34)C3CCCCC32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole?
The InChIKey is SXPLVQPVAMIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O/c1-6-19-35(44-38-22-9-4-17-32(38)33-24-25-40-41(42(33)44)34-18-5-10-23-39(34)45-40)29(14-1)27-12-11-13-28(26-27)43-36-20-7-2-15-30(36)31-16-3-8-21-37(31)43/h1-3,5-8,10-16,18-21,23-26,32,38H,4,9,17,22H2.
What are the key properties of 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole?
12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole has a molecular weight of 580.73 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(3-carbazol-9-ylphenyl)phenyl]-7b,8,9,10,11,11a-hexahydro-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 164933646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).