2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine

C42H30N4 — CID 146548601

IUPAC2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4nc(-c5ccccc5)c5cccc(-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C42H30N4/c1-27-16-20-31(21-17-27)40-44-41(32-22-18-28(2)19-23-32)46-42(45-40)33-24-25-37-36(26-33)38-34(29-10-5-3-6-11-29)14-9-15-35(38)39(43-37)30-12-7-4-8-13-30/h3-26H,1-2H3
InChIKeyIWMURSLCTCLGDA-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.52
Rot. Bonds5

About 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine

2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine (PubChem CID 146548601) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
PubChem CID146548601
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4nc(-c5ccccc5)c5cccc(-c6ccccc6)c5c4c3)n2)cc1
InChIInChI=1S/C42H30N4/c1-27-16-20-31(21-17-27)40-44-41(32-22-18-28(2)19-23-32)46-42(45-40)33-24-25-37-36(26-33)38-34(29-10-5-3-6-11-29)14-9-15-35(38)39(43-37)30-12-7-4-8-13-30/h3-26H,1-2H3
InChIKeyIWMURSLCTCLGDA-UHFFFAOYSA-N
XLogP10.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.52
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

2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146549083
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
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
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?
The IUPAC name of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine (CID 146548601) is 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?
The canonical SMILES for 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4nc(-c5ccccc5)c5cccc(-c6ccccc6)c5c4c3)n2)cc1.
What is the InChIKey of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?
The InChIKey is IWMURSLCTCLGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-27-16-20-31(21-17-27)40-44-41(32-22-18-28(2)19-23-32)46-42(45-40)33-24-25-37-36(26-33)38-34(29-10-5-3-6-11-29)14-9-15-35(38)39(43-37)30-12-7-4-8-13-30/h3-26H,1-2H3.
What are the key properties of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine?
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine has a molecular weight of 590.73 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146548601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).