6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile

C39H46N4 — CID 146539397

IUPAC6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile
SMILESCC1C=C(N2C3=C(CCC=C3)N(C3C=CC=C(C4(C)CC=CCC4C4=CCCC(C#N)=N4)C3C)C3C=CC=CC32)CCC1
InChIInChI=1S/C39H46N4/c1-27-13-10-15-30(25-27)42-35-19-4-6-21-37(35)43(38-22-7-5-20-36(38)42)34-23-12-17-31(28(34)2)39(3)24-9-8-16-32(39)33-18-11-14-29(26-40)41-33/h4-6,8-9,12,17-21,23,25,27-28,32,34-35,37H,7,10-11,13-16,22,24H2,1-3H3
InChIKeyJLYWAIXKNONHMO-UHFFFAOYSA-N
MW570.83 g/mol
LogP8.85
Rot. Bonds4

About 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile

6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile (PubChem CID 146539397) has the molecular formula C39H46N4 and a molecular weight of 570.83 g/mol. Its IUPAC name is 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile
PubChem CID146539397
Molecular FormulaC39H46N4
Molecular Weight570.83 g/mol
Exact Mass570.37
IUPAC Name6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile
SMILESCC1C=C(N2C3=C(CCC=C3)N(C3C=CC=C(C4(C)CC=CCC4C4=CCCC(C#N)=N4)C3C)C3C=CC=CC32)CCC1
InChIInChI=1S/C39H46N4/c1-27-13-10-15-30(25-27)42-35-19-4-6-21-37(35)43(38-22-7-5-20-36(38)42)34-23-12-17-31(28(34)2)39(3)24-9-8-16-32(39)33-18-11-14-29(26-40)41-33/h4-6,8-9,12,17-21,23,25,27-28,32,34-35,37H,7,10-11,13-16,22,24H2,1-3H3
InChIKeyJLYWAIXKNONHMO-UHFFFAOYSA-N
XLogP8.85
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.83
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile?
The IUPAC name of 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile (CID 146539397) is 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile?
The canonical SMILES for 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile is CC1C=C(N2C3=C(CCC=C3)N(C3C=CC=C(C4(C)CC=CCC4C4=CCCC(C#N)=N4)C3C)C3C=CC=CC32)CCC1.
What is the InChIKey of 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile?
The InChIKey is JLYWAIXKNONHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N4/c1-27-13-10-15-30(25-27)42-35-19-4-6-21-37(35)43(38-22-7-5-20-36(38)42)34-23-12-17-31(28(34)2)39(3)24-9-8-16-32(39)33-18-11-14-29(26-40)41-33/h4-6,8-9,12,17-21,23,25,27-28,32,34-35,37H,7,10-11,13-16,22,24H2,1-3H3.
What are the key properties of 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile?
6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile has a molecular weight of 570.83 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methyl-6-[6-methyl-5-[10-(3-methylcyclohexen-1-yl)-3,4,5a,9a-tetrahydrophenazin-5-yl]cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-3,4-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 146539397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).