3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine

C34H34N2 — CID 163726988

IUPAC3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine
SMILESCC12C=CC=CC1c1ccccc1-n1c(-c3c(C4=CCCC=C4)cccc3C3CCCCC3)cnc12
InChIInChI=1S/C34H34N2/c1-34-22-11-10-20-29(34)28-17-8-9-21-30(28)36-31(23-35-33(34)36)32-26(24-13-4-2-5-14-24)18-12-19-27(32)25-15-6-3-7-16-25/h4,8-14,17-23,25,29H,2-3,5-7,15-16H2,1H3
InChIKeyKWLNBECEYQYPNJ-UHFFFAOYSA-N
MW470.66 g/mol
LogP8.80
Rot. Bonds3

About 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine

3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine (PubChem CID 163726988) has the molecular formula C34H34N2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine
PubChem CID163726988
Molecular FormulaC34H34N2
Molecular Weight470.66 g/mol
Exact Mass470.27
IUPAC Name3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine
SMILESCC12C=CC=CC1c1ccccc1-n1c(-c3c(C4=CCCC=C4)cccc3C3CCCCC3)cnc12
InChIInChI=1S/C34H34N2/c1-34-22-11-10-20-29(34)28-17-8-9-21-30(28)36-31(23-35-33(34)36)32-26(24-13-4-2-5-14-24)18-12-19-27(32)25-15-6-3-7-16-25/h4,8-14,17-23,25,29H,2-3,5-7,15-16H2,1H3
InChIKeyKWLNBECEYQYPNJ-UHFFFAOYSA-N
XLogP8.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine (CID 163726988) is 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine is CC12C=CC=CC1c1ccccc1-n1c(-c3c(C4=CCCC=C4)cccc3C3CCCCC3)cnc12.
What is the InChIKey of 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine?
The InChIKey is KWLNBECEYQYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2/c1-34-22-11-10-20-29(34)28-17-8-9-21-30(28)36-31(23-35-33(34)36)32-26(24-13-4-2-5-14-24)18-12-19-27(32)25-15-6-3-7-16-25/h4,8-14,17-23,25,29H,2-3,5-7,15-16H2,1H3.
What are the key properties of 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine?
3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine has a molecular weight of 470.66 g/mol, XLogP of 8.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexa-1,5-dien-1-yl-6-cyclohexylphenyl)-12a-methyl-8bH-imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 163726988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).