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

C48H34N4 — CID 146549222

IUPAC4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)c3)n2)cc1
InChIInChI=1S/C48H34N4/c1-31-22-26-35(27-23-31)46-50-47(36-28-24-32(2)25-29-36)52-48(51-46)38-17-9-16-37(30-38)40-19-11-21-42-43-39(33-12-5-3-6-13-33)18-10-20-41(43)44(49-45(40)42)34-14-7-4-8-15-34/h3-30H,1-2H3
InChIKeyMTZWBLUCHCGKAR-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.19
Rot. Bonds6

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

4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 146549222) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
PubChem CID146549222
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)c3)n2)cc1
InChIInChI=1S/C48H34N4/c1-31-22-26-35(27-23-31)46-50-47(36-28-24-32(2)25-29-36)52-48(51-46)38-17-9-16-37(30-38)40-19-11-21-42-43-39(33-12-5-3-6-13-33)18-10-20-41(43)44(49-45(40)42)34-14-7-4-8-15-34/h3-30H,1-2H3
InChIKeyMTZWBLUCHCGKAR-UHFFFAOYSA-N
XLogP12.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.19
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

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
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107
4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549913
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146548601
4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane
CID 159016436
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146548674
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548647
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine
CID 160572866

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (CID 146549222) is 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)c3)n2)cc1.
What is the InChIKey of 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is MTZWBLUCHCGKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-31-22-26-35(27-23-31)46-50-47(36-28-24-32(2)25-29-36)52-48(51-46)38-17-9-16-37(30-38)40-19-11-21-42-43-39(33-12-5-3-6-13-33)18-10-20-41(43)44(49-45(40)42)34-14-7-4-8-15-34/h3-30H,1-2H3.
What are the key properties of 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 666.83 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146549222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).