4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine

C24H18N2 — CID 145117232

IUPAC4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1/C=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=C/C1=N\[H]
InChIInChI=1S/C24H18N2/c25-23-12-11-19(16-24(23)26)22-14-20(17-7-3-1-4-8-17)13-21(15-22)18-9-5-2-6-10-18/h1-16,25-26H/b25-23+,26-24-
InChIKeyQQSGXFUNJFZXAR-MRAZZECGSA-N
MW334.42 g/mol
LogP6.01
Rot. Bonds3

About 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine

4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine (PubChem CID 145117232) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine
PubChem CID145117232
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1/C=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=C/C1=N\[H]
InChIInChI=1S/C24H18N2/c25-23-12-11-19(16-24(23)26)22-14-20(17-7-3-1-4-8-17)13-21(15-22)18-9-5-2-6-10-18/h1-16,25-26H/b25-23+,26-24-
InChIKeyQQSGXFUNJFZXAR-MRAZZECGSA-N
XLogP6.01
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-phenylcyclohexa-2,5-diene-1,4-diimine
CID 54180214
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
4-(9,10-diphenylanthracen-2-yl)cyclohexa-3,5-diene-1,2-diimine;4-quinolin-3-ylaniline
CID 145117344
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
ethane;1,3,5-triphenylbenzene
CID 142123051
N-[(Z)-[6-imino-4-[3-(10-phenylanthracen-9-yl)phenyl]cyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-3-ylaniline
CID 137143694
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
N-[(Z)-[4-(9,10-diphenylanthracen-2-yl)-6-iminocyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-4-ylaniline
CID 137245602

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine (CID 145117232) is 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine is [H]/N=C1/C=C(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=C/C1=N\[H].
What is the InChIKey of 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is QQSGXFUNJFZXAR-MRAZZECGSA-N. The full InChI is InChI=1S/C24H18N2/c25-23-12-11-19(16-24(23)26)22-14-20(17-7-3-1-4-8-17)13-21(15-22)18-9-5-2-6-10-18/h1-16,25-26H/b25-23+,26-24-.
What are the key properties of 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine?
4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 334.42 g/mol, XLogP of 6.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 145117232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).