2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile

C30H24N2 — CID 85292970

IUPAC2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile
SMILESN#CC1(c2ccccc2)C(N)=C(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C30H24N2/c31-21-30(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)27(29(30)32)23-15-7-2-8-16-23/h1-20,26,28H,32H2
InChIKeyDLVOJLDFSYLWHN-UHFFFAOYSA-N
MW412.54 g/mol
LogP6.40
Rot. Bonds4

About 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile

2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile (PubChem CID 85292970) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile.

Molecular Properties

Compound Name2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile
PubChem CID85292970
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile
SMILESN#CC1(c2ccccc2)C(N)=C(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C30H24N2/c31-21-30(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)27(29(30)32)23-15-7-2-8-16-23/h1-20,26,28H,32H2
InChIKeyDLVOJLDFSYLWHN-UHFFFAOYSA-N
XLogP6.40
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
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trans-ethyl (1R,3S)-2,2-dicyano-3-phenylcyclopropane-1-carboxylate
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2-amino-6-methyl-4,6-diphenylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile?
The IUPAC name of 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile (CID 85292970) is 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile.
What is the SMILES notation for 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile?
The canonical SMILES for 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile is N#CC1(c2ccccc2)C(N)=C(c2ccccc2)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile?
The InChIKey is DLVOJLDFSYLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c31-21-30(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)27(29(30)32)23-15-7-2-8-16-23/h1-20,26,28H,32H2.
What are the key properties of 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile?
2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile has a molecular weight of 412.54 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3,4,5-tetraphenylcyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 85292970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).