2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine

C27H23N5 — CID 142351556

IUPAC2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine
SMILESC1=CC(c2nc(Nc3ccccc3Nc3ccccc3)nc(-c3ccccc3)n2)=CCC1
InChIInChI=1S/C27H23N5/c1-4-12-20(13-5-1)25-30-26(21-14-6-2-7-15-21)32-27(31-25)29-24-19-11-10-18-23(24)28-22-16-8-3-9-17-22/h1,3-6,8-19,28H,2,7H2,(H,29,30,31,32)
InChIKeyVQJVTTYXDOIMCM-UHFFFAOYSA-N
MW417.52 g/mol
LogP6.76
Rot. Bonds6

About 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine

2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine (PubChem CID 142351556) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine
PubChem CID142351556
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine
SMILESC1=CC(c2nc(Nc3ccccc3Nc3ccccc3)nc(-c3ccccc3)n2)=CCC1
InChIInChI=1S/C27H23N5/c1-4-12-20(13-5-1)25-30-26(21-14-6-2-7-15-21)32-27(31-25)29-24-19-11-10-18-23(24)28-22-16-8-3-9-17-22/h1,3-6,8-19,28H,2,7H2,(H,29,30,31,32)
InChIKeyVQJVTTYXDOIMCM-UHFFFAOYSA-N
XLogP6.76
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)boronic acid
CID 144602933
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-[(3Z)-5-bromohexa-1,3,5-trien-2-yl]-4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazine
CID 163977720
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
CID 167190987
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 71167976
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384831

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine?
The IUPAC name of 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine (CID 142351556) is 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine is C1=CC(c2nc(Nc3ccccc3Nc3ccccc3)nc(-c3ccccc3)n2)=CCC1.
What is the InChIKey of 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine?
The InChIKey is VQJVTTYXDOIMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5/c1-4-12-20(13-5-1)25-30-26(21-14-6-2-7-15-21)32-27(31-25)29-24-19-11-10-18-23(24)28-22-16-8-3-9-17-22/h1,3-6,8-19,28H,2,7H2,(H,29,30,31,32).
What are the key properties of 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine?
2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine has a molecular weight of 417.52 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 142351556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).