3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine

C48H30N4 — CID 146549029

IUPAC3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-33(15-4-1)40-20-11-21-42-44(40)41-27-26-39(30-43(41)49-45(42)34-16-5-2-6-17-34)48-51-46(37-24-22-31-12-7-9-18-35(31)28-37)50-47(52-48)38-25-23-32-13-8-10-19-36(32)29-38/h1-30H
InChIKeyRCZVYDFOALTMRJ-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine

3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine (PubChem CID 146549029) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
PubChem CID146549029
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-33(15-4-1)40-20-11-21-42-44(40)41-27-26-39(30-43(41)49-45(42)34-16-5-2-6-17-34)48-51-46(37-24-22-31-12-7-9-18-35(31)28-37)50-47(52-48)38-25-23-32-13-8-10-19-36(32)29-38/h1-30H
InChIKeyRCZVYDFOALTMRJ-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

6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
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
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane
CID 163523054
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
The IUPAC name of 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine (CID 146549029) is 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine.
What is the SMILES notation for 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
The canonical SMILES for 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine is c1ccc(-c2nc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
The InChIKey is RCZVYDFOALTMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-14-33(15-4-1)40-20-11-21-42-44(40)41-27-26-39(30-43(41)49-45(42)34-16-5-2-6-17-34)48-51-46(37-24-22-31-12-7-9-18-35(31)28-37)50-47(52-48)38-25-23-32-13-8-10-19-36(32)29-38/h1-30H.
What are the key properties of 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine 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 3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine is sourced from PubChem (CID 146549029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).