6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine

C44H28N4 — CID 155792510

IUPAC6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4nc5c6ccccc6ccc5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-11-29(12-4-1)31-19-23-34(24-20-31)42-46-43(35-25-21-32(22-26-35)30-13-5-2-6-14-30)48-44(47-42)41-38-18-10-9-17-37(38)39-28-27-33-15-7-8-16-36(33)40(39)45-41/h1-28H
InChIKeyODOSNHDLGCJZGL-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine

6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine (PubChem CID 155792510) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine.

Molecular Properties

Compound Name6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine
PubChem CID155792510
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4nc5c6ccccc6ccc5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-11-29(12-4-1)31-19-23-34(24-20-31)42-46-43(35-25-21-32(22-26-35)30-13-5-2-6-14-30)48-44(47-42)41-38-18-10-9-17-37(38)39-28-27-33-15-7-8-16-36(33)40(39)45-41/h1-28H
InChIKeyODOSNHDLGCJZGL-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
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

6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]phenanthridine
CID 155792781
6-[3-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[c]phenanthridine
CID 153264969
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]phenanthridine
CID 148557011
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
5-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[b]phenanthridine;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[c]phenanthridine;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine
CID 161461215
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[i]phenanthridine
CID 155792697
2-(3-chrysen-6-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 130355580
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
13-(4-phenylbenzo[h]quinazolin-2-yl)-[1]benzothiolo[3,2-c]phenanthridine
CID 126701910
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-12-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 159503316
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792693

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine?
The IUPAC name of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine (CID 155792510) is 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine.
What is the SMILES notation for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine?
The canonical SMILES for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4nc5c6ccccc6ccc5c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine?
The InChIKey is ODOSNHDLGCJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-11-29(12-4-1)31-19-23-34(24-20-31)42-46-43(35-25-21-32(22-26-35)30-13-5-2-6-14-30)48-44(47-42)41-38-18-10-9-17-37(38)39-28-27-33-15-7-8-16-36(33)40(39)45-41/h1-28H.
What are the key properties of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine?
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine is sourced from PubChem (CID 155792510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).