4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

C62H38N4 — CID 146549913

IUPAC4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc3c(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)nc(-c6cc7ccccc7c7ccccc67)n5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C62H38N4/c1-3-17-39(18-4-1)47-29-15-31-53-57(47)54-32-16-30-48(59(54)63-58(53)41-19-5-2-6-20-41)40-33-35-42(36-34-40)60-64-61(55-37-43-21-7-9-23-45(43)49-25-11-13-27-51(49)55)66-62(65-60)56-38-44-22-8-10-24-46(44)50-26-12-14-28-52(50)56/h1-38H
InChIKeyYFASZFGJWLKLJC-UHFFFAOYSA-N
MW839.01 g/mol
LogP16.19
Rot. Bonds6

About 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 146549913) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
PubChem CID146549913
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc3c(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)nc(-c6cc7ccccc7c7ccccc67)n5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C62H38N4/c1-3-17-39(18-4-1)47-29-15-31-53-57(47)54-32-16-30-48(59(54)63-58(53)41-19-5-2-6-20-41)40-33-35-42(36-34-40)60-64-61(55-37-43-21-7-9-23-45(43)49-25-11-13-27-51(49)55)66-62(65-60)56-38-44-22-8-10-24-46(44)50-26-12-14-28-52(50)56/h1-38H
InChIKeyYFASZFGJWLKLJC-UHFFFAOYSA-N
XLogP16.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 516.19
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-[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-[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
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-(4,6-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
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]-6,10-diphenylphenanthridine
CID 146549168
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
8-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322534
10-[3-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548146
4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146549386

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (CID 146549913) is 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is c1ccc(-c2nc3c(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)nc(-c6cc7ccccc7c7ccccc67)n5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is YFASZFGJWLKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c1-3-17-39(18-4-1)47-29-15-31-53-57(47)54-32-16-30-48(59(54)63-58(53)41-19-5-2-6-20-41)40-33-35-42(36-34-40)60-64-61(55-37-43-21-7-9-23-45(43)49-25-11-13-27-51(49)55)66-62(65-60)56-38-44-22-8-10-24-46(44)50-26-12-14-28-52(50)56/h1-38H.
What are the key properties of 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 839.01 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146549913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).