2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C47H29N3O — CID 166741406

IUPAC2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C47H29N3O/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)39-27-28-42-43(40-17-9-10-18-41(40)51-42)44(39)47-49-45(34-14-5-2-6-15-34)48-46(50-47)36-25-26-38-35(29-36)24-23-32-13-7-8-16-37(32)38/h1-29H
InChIKeyNVBSKDQGFUIOSD-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166741406) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166741406
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C47H29N3O/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)39-27-28-42-43(40-17-9-10-18-41(40)51-42)44(39)47-49-45(34-14-5-2-6-15-34)48-46(50-47)36-25-26-38-35(29-36)24-23-32-13-7-8-16-37(32)38/h1-29H
InChIKeyNVBSKDQGFUIOSD-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-dibenzofuran-2-yl-4-phenanthren-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741485
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491098
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170246998
2-chrysen-2-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259613
2-(2-dibenzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 159761626
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 166741406) is 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)cc2)cc1.
What is the InChIKey of 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is NVBSKDQGFUIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)39-27-28-42-43(40-17-9-10-18-41(40)51-42)44(39)47-49-45(34-14-5-2-6-15-34)48-46(50-47)36-25-26-38-35(29-36)24-23-32-13-7-8-16-37(32)38/h1-29H.
What are the key properties of 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166741406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).