11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine

C38H24N4 — CID 134169245

IUPAC11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc6ccc7ccccc7c6nc45)cc3)n2)cc1
InChIInChI=1S/C38H24N4/c1-3-11-27(12-4-1)36-40-37(28-13-5-2-6-14-28)42-38(41-36)29-21-18-26(19-22-29)33-17-9-15-30-24-31-23-20-25-10-7-8-16-32(25)35(31)39-34(30)33/h1-24H
InChIKeyXJNDUKFICVQUMX-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine (PubChem CID 134169245) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine.

Molecular Properties

Compound Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine
PubChem CID134169245
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc6ccc7ccccc7c6nc45)cc3)n2)cc1
InChIInChI=1S/C38H24N4/c1-3-11-27(12-4-1)36-40-37(28-13-5-2-6-14-28)42-38(41-36)29-21-18-26(19-22-29)33-17-9-15-30-24-31-23-20-25-10-7-8-16-32(25)35(31)39-34(30)33/h1-24H
InChIKeyXJNDUKFICVQUMX-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
2-(4-benzo[c]phenanthren-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 159651717
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 137472837
2-[4-(12-naphthalen-1-ylchrysen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155655370
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-[3-naphthalen-1-yl-4-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146187509

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine?
The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine (CID 134169245) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine.
What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine?
The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc6ccc7ccccc7c6nc45)cc3)n2)cc1.
What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine?
The InChIKey is XJNDUKFICVQUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-11-27(12-4-1)36-40-37(28-13-5-2-6-14-28)42-38(41-36)29-21-18-26(19-22-29)33-17-9-15-30-24-31-23-20-25-10-7-8-16-32(25)35(31)39-34(30)33/h1-24H.
What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine?
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine is sourced from PubChem (CID 134169245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).