11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline

C44H28N4 — CID 174287400

IUPAC11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)nc(-c3cc4cnccc4c4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H28N4/c1-4-12-29(13-5-1)35-22-21-33(26-39(35)30-14-6-2-7-15-30)43-46-42(32-17-8-3-9-18-32)47-44(48-43)40-27-34-28-45-25-24-36(34)38-23-20-31-16-10-11-19-37(31)41(38)40/h1-28H
InChIKeyGWTMTJKYOIDJGS-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline

11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline (PubChem CID 174287400) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline.

Molecular Properties

Compound Name11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline
PubChem CID174287400
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)nc(-c3cc4cnccc4c4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H28N4/c1-4-12-29(13-5-1)35-22-21-33(26-39(35)30-14-6-2-7-15-30)43-46-42(32-17-8-3-9-18-32)47-44(48-43)40-27-34-28-45-25-24-36(34)38-23-20-31-16-10-11-19-37(31)41(38)40/h1-28H
InChIKeyGWTMTJKYOIDJGS-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline with MolForge

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Related Compounds

5-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174288208
2-benzo[c]phenanthren-5-yl-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263855
2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 161290777
7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288450
8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline
CID 147512897
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
2-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187334
4-[4-(4-naphthalen-1-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline
CID 174296112
6-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288212
7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
CID 174296972
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 168785274
2-naphthalen-2-yl-4-phenyl-6-[2-phenyl-4-(2-phenyl-4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 175394211

Frequently Asked Questions

What is the IUPAC name of 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline?
The IUPAC name of 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline (CID 174287400) is 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline.
What is the SMILES notation for 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline?
The canonical SMILES for 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline is c1ccc(-c2nc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)nc(-c3cc4cnccc4c4ccc5ccccc5c34)n2)cc1.
What is the InChIKey of 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline?
The InChIKey is GWTMTJKYOIDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-4-12-29(13-5-1)35-22-21-33(26-39(35)30-14-6-2-7-15-30)43-46-42(32-17-8-3-9-18-32)47-44(48-43)40-27-34-28-45-25-24-36(34)38-23-20-31-16-10-11-19-37(31)41(38)40/h1-28H.
What are the key properties of 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline?
11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-f]isoquinoline is sourced from PubChem (CID 174287400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).