1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile

C22H24N4 — CID 141078485

IUPAC1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile
SMILESCC1C(C)(C#N)C(C)(C#N)C(C)(C#N)C(C)(C#N)C1(C)c1ccccc1
InChIInChI=1S/C22H24N4/c1-16-18(2,12-23)19(3,13-24)20(4,14-25)21(5,15-26)22(16,6)17-10-8-7-9-11-17/h7-11,16H,1-6H3
InChIKeyULBVYFIWZGHFCV-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.71
Rot. Bonds1

About 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile

1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile (PubChem CID 141078485) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile
PubChem CID141078485
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile
SMILESCC1C(C)(C#N)C(C)(C#N)C(C)(C#N)C(C)(C#N)C1(C)c1ccccc1
InChIInChI=1S/C22H24N4/c1-16-18(2,12-23)19(3,13-24)20(4,14-25)21(5,15-26)22(16,6)17-10-8-7-9-11-17/h7-11,16H,1-6H3
InChIKeyULBVYFIWZGHFCV-UHFFFAOYSA-N
XLogP4.71
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
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2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
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1-fluoro-2,3-dimethyl-2-phenylaziridine
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2-methyl-1-phenylcyclobutane-1-carbonitrile
CID 23294917
2,5-dimethyl-4-phenyl-1,3-dioxolane-4-carbonitrile
CID 10262295
2-methyl-2-(4-phenylphenyl)cyclopropane-1-carbonitrile
CID 116841830
trans-dimethyl (2R,3S)-2,3-dimethyl-2-phenylcyclopropane-1,1-dicarboxylate
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3-[(3,4-dimethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
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3-phenyltricyclo[3.2.2.02,4]non-8-ene-3,6,6,7,7-pentacarbonitrile
CID 606327

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile?
The IUPAC name of 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile (CID 141078485) is 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile.
What is the SMILES notation for 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile?
The canonical SMILES for 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile is CC1C(C)(C#N)C(C)(C#N)C(C)(C#N)C(C)(C#N)C1(C)c1ccccc1.
What is the InChIKey of 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile?
The InChIKey is ULBVYFIWZGHFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-16-18(2,12-23)19(3,13-24)20(4,14-25)21(5,15-26)22(16,6)17-10-8-7-9-11-17/h7-11,16H,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile?
1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile has a molecular weight of 344.46 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethyl-5-phenylcyclohexane-1,2,3,4-tetracarbonitrile is sourced from PubChem (CID 141078485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).