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

C58H38N4 — CID 146549107

IUPAC4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-5-15-39(16-6-1)41-27-33-46(34-28-41)56-60-57(47-35-29-42(30-36-47)40-17-7-2-8-18-40)62-58(61-56)48-37-31-44(32-38-48)50-24-14-26-52-53-49(43-19-9-3-10-20-43)23-13-25-51(53)54(59-55(50)52)45-21-11-4-12-22-45/h1-38H
InChIKeyRPEXBAICYUYIKM-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.91
Rot. Bonds8

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

4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 146549107) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
PubChem CID146549107
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-5-15-39(16-6-1)41-27-33-46(34-28-41)56-60-57(47-35-29-42(30-36-47)40-17-7-2-8-18-40)62-58(61-56)48-37-31-44(32-38-48)50-24-14-26-52-53-49(43-19-9-3-10-20-43)23-13-25-51(53)54(59-55(50)52)45-21-11-4-12-22-45/h1-38H
InChIKeyRPEXBAICYUYIKM-UHFFFAOYSA-N
XLogP14.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.91
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-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146548674
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549913
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
6-(4-phenanthren-9-ylphenyl)-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[k]phenanthridine
CID 155249489
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
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165382875
4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146549386
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (CID 146549107) is 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is RPEXBAICYUYIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-5-15-39(16-6-1)41-27-33-46(34-28-41)56-60-57(47-35-29-42(30-36-47)40-17-7-2-8-18-40)62-58(61-56)48-37-31-44(32-38-48)50-24-14-26-52-53-49(43-19-9-3-10-20-43)23-13-25-51(53)54(59-55(50)52)45-21-11-4-12-22-45/h1-38H.
What are the key properties of 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 790.97 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146549107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).