6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine

C48H30N4 — CID 146548430

IUPAC6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
SMILESc1ccc(-c2cccc3c(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)nc4ccccc4c23)cc1
InChIInChI=1S/C48H30N4/c1-2-13-33(14-3-1)40-18-10-19-42-44(40)41-17-8-9-20-43(41)49-45(42)34-23-25-35(26-24-34)46-50-47(38-27-21-31-11-4-6-15-36(31)29-38)52-48(51-46)39-28-22-32-12-5-7-16-37(32)30-39/h1-30H
InChIKeyKLLDLMHSABKTPN-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine

6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine (PubChem CID 146548430) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine.

Molecular Properties

Compound Name6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
PubChem CID146548430
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
SMILESc1ccc(-c2cccc3c(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)nc4ccccc4c23)cc1
InChIInChI=1S/C48H30N4/c1-2-13-33(14-3-1)40-18-10-19-42-44(40)41-17-8-9-20-43(41)49-45(42)34-23-25-35(26-24-34)46-50-47(38-27-21-31-11-4-6-15-36(31)29-38)52-48(51-46)39-28-22-32-12-5-7-16-37(32)30-39/h1-30H
InChIKeyKLLDLMHSABKTPN-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146549029
10-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenylphenanthridine;10-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenylphenanthridine
CID 161033409
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-naphthalen-1-ylphenanthridine;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-naphthalen-2-ylphenanthridine;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenanthren-9-ylphenanthridine;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(3-phenylphenyl)phenanthridine
CID 159407475
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
10-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenanthridine
CID 161158065
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146548601

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine?
The IUPAC name of 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine (CID 146548430) is 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine.
What is the SMILES notation for 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine?
The canonical SMILES for 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine is c1ccc(-c2cccc3c(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)nc4ccccc4c23)cc1.
What is the InChIKey of 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine?
The InChIKey is KLLDLMHSABKTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-13-33(14-3-1)40-18-10-19-42-44(40)41-17-8-9-20-43(41)49-45(42)34-23-25-35(26-24-34)46-50-47(38-27-21-31-11-4-6-15-36(31)29-38)52-48(51-46)39-28-22-32-12-5-7-16-37(32)30-39/h1-30H.
What are the key properties of 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine?
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine is sourced from PubChem (CID 146548430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).