4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

C52H36N4 — CID 146548647

IUPAC4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESC1=CC(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)cc2)=CCC1
InChIInChI=1S/C52H36N4/c1-5-16-35(17-6-1)36-30-32-40(33-31-36)51-54-50(39-22-11-4-12-23-39)55-52(56-51)42-25-13-24-41(34-42)44-27-15-29-46-47-43(37-18-7-2-8-19-37)26-14-28-45(47)48(53-49(44)46)38-20-9-3-10-21-38/h2-5,7-34H,1,6H2
InChIKeyKRSZPPXDEHCUSP-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.31
Rot. Bonds7

About 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 146548647) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
PubChem CID146548647
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESC1=CC(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)cc2)=CCC1
InChIInChI=1S/C52H36N4/c1-5-16-35(17-6-1)36-30-32-40(33-31-36)51-54-50(39-22-11-4-12-23-39)55-52(56-51)42-25-13-24-41(34-42)44-27-15-29-46-47-43(37-18-7-2-8-19-37)26-14-28-45(47)48(53-49(44)46)38-20-9-3-10-21-38/h2-5,7-34H,1,6H2
InChIKeyKRSZPPXDEHCUSP-UHFFFAOYSA-N
XLogP13.31
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 513.31
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-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146548674
4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549913
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
6-[3-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(2-methyl-3-phenylphenyl)phenyl]phenanthridine
CID 154955581
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-[3-(3-cyclohexa-1,5-dien-1-yl-2,4,5-triphenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168932734

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (CID 146548647) is 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is C1=CC(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)cc2)=CCC1.
What is the InChIKey of 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is KRSZPPXDEHCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-5-16-35(17-6-1)36-30-32-40(33-31-36)51-54-50(39-22-11-4-12-23-39)55-52(56-51)42-25-13-24-41(34-42)44-27-15-29-46-47-43(37-18-7-2-8-19-37)26-14-28-45(47)48(53-49(44)46)38-20-9-3-10-21-38/h2-5,7-34H,1,6H2.
What are the key properties of 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 716.89 g/mol, XLogP of 13.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146548647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).