3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole

C38H42N2 — CID 71188879

IUPAC3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole
SMILESCc1c2c(c(C3=CC4CC=C(C5NC6=C(C=CCC6)N5C5=CC=CCC5)CC4CC3)c3c1=CCCC=3)C=CCC2
InChIInChI=1S/C38H42N2/c1-25-31-13-5-7-15-33(31)37(34-16-8-6-14-32(25)34)28-21-19-27-24-29(22-20-26(27)23-28)38-39-35-17-9-10-18-36(35)40(38)30-11-3-2-4-12-30/h2-3,7,10-11,14-16,18,22-23,26-27,38-39H,4-6,8-9,12-13,17,19-21,24H2,1H3
InChIKeyWCGACXBJMHCSCO-UHFFFAOYSA-N
MW526.77 g/mol
LogP7.47
Rot. Bonds3

About 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole

3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole (PubChem CID 71188879) has the molecular formula C38H42N2 and a molecular weight of 526.77 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole
PubChem CID71188879
Molecular FormulaC38H42N2
Molecular Weight526.77 g/mol
Exact Mass526.33
IUPAC Name3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole
SMILESCc1c2c(c(C3=CC4CC=C(C5NC6=C(C=CCC6)N5C5=CC=CCC5)CC4CC3)c3c1=CCCC=3)C=CCC2
InChIInChI=1S/C38H42N2/c1-25-31-13-5-7-15-33(31)37(34-16-8-6-14-32(25)34)28-21-19-27-24-29(22-20-26(27)23-28)38-39-35-17-9-10-18-36(35)40(38)30-11-3-2-4-12-30/h2-3,7,10-11,14-16,18,22-23,26-27,38-39H,4-6,8-9,12-13,17,19-21,24H2,1H3
InChIKeyWCGACXBJMHCSCO-UHFFFAOYSA-N
XLogP7.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.77
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole (CID 71188879) is 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole is Cc1c2c(c(C3=CC4CC=C(C5NC6=C(C=CCC6)N5C5=CC=CCC5)CC4CC3)c3c1=CCCC=3)C=CCC2.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole?
The InChIKey is WCGACXBJMHCSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N2/c1-25-31-13-5-7-15-33(31)37(34-16-8-6-14-32(25)34)28-21-19-27-24-29(22-20-26(27)23-28)38-39-35-17-9-10-18-36(35)40(38)30-11-3-2-4-12-30/h2-3,7,10-11,14-16,18,22-23,26-27,38-39H,4-6,8-9,12-13,17,19-21,24H2,1H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole?
3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole has a molecular weight of 526.77 g/mol, XLogP of 7.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-2-[6-(10-methyl-2,3,5,6-tetrahydroanthracen-9-yl)-1,4,4a,7,8,8a-hexahydronaphthalen-2-yl]-1,2,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 71188879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).