N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine

C34H29N — CID 70267811

IUPACN,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
SMILESC1=CC(/C=C/c2ccccc2)(N(c2ccccc2)c2ccccc2)CC=C1/C=C/c1ccccc1
InChIInChI=1S/C34H29N/c1-5-13-29(14-6-1)21-22-31-24-27-34(28-25-31,26-23-30-15-7-2-8-16-30)35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-27H,28H2/b22-21+,26-23+
InChIKeyFZYUWDFLHOBXCL-OVSCGYIVSA-N
MW451.61 g/mol
LogP8.88
Rot. Bonds7

About N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine

N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine (PubChem CID 70267811) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
PubChem CID70267811
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC NameN,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
SMILESC1=CC(/C=C/c2ccccc2)(N(c2ccccc2)c2ccccc2)CC=C1/C=C/c1ccccc1
InChIInChI=1S/C34H29N/c1-5-13-29(14-6-1)21-22-31-24-27-34(28-25-31,26-23-30-15-7-2-8-16-30)35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-27H,28H2/b22-21+,26-23+
InChIKeyFZYUWDFLHOBXCL-OVSCGYIVSA-N
XLogP8.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
CID 174761842
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
CID 70014607
N,N-dimethyl-1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 87199171
1-acetyloxy-4-(2-phenylethenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70447229
[4-(2-phenylethenyl)-1-prop-2-enoyloxycyclohexa-2,4-dien-1-yl] prop-2-enoate
CID 70209671
1-[1-methyl-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1H-isoindole
CID 70039817
4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 143367130
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine (CID 70267811) is N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine is C1=CC(/C=C/c2ccccc2)(N(c2ccccc2)c2ccccc2)CC=C1/C=C/c1ccccc1.
What is the InChIKey of N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is FZYUWDFLHOBXCL-OVSCGYIVSA-N. The full InChI is InChI=1S/C34H29N/c1-5-13-29(14-6-1)21-22-31-24-27-34(28-25-31,26-23-30-15-7-2-8-16-30)35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-27H,28H2/b22-21+,26-23+.
What are the key properties of N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine?
N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 451.61 g/mol, XLogP of 8.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70267811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).