2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine

C46H30N4 — CID 162392887

IUPAC2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccccc34)cn2)cc1
InChIInChI=1S/C46H30N4/c1-5-15-31(16-6-1)41-28-26-36(30-47-41)43-39-24-14-13-23-37(39)38-27-25-35(29-40(38)42(43)32-17-7-2-8-18-32)46-49-44(33-19-9-3-10-20-33)48-45(50-46)34-21-11-4-12-22-34/h1-30H
InChIKeyPQWXELDVDLIZGI-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.57
Rot. Bonds6

About 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine

2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine (PubChem CID 162392887) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
PubChem CID162392887
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccccc34)cn2)cc1
InChIInChI=1S/C46H30N4/c1-5-15-31(16-6-1)41-28-26-36(30-47-41)43-39-24-14-13-23-37(39)38-27-25-35(29-40(38)42(43)32-17-7-2-8-18-32)46-49-44(33-19-9-3-10-20-33)48-45(50-46)34-21-11-4-12-22-34/h1-30H
InChIKeyPQWXELDVDLIZGI-UHFFFAOYSA-N
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.57
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

2,4-bis(4-phenylphenyl)-6-(10-phenyl-9-pyridin-3-ylphenanthren-2-yl)-1,3,5-triazine
CID 162392900
2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine
CID 167087639
2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 162392902
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-(4-octacyclo[24.12.0.02,7.08,13.014,19.020,25.027,32.033,38]octatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29,31,33,35,37-nonadecaenyl)-4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)pyrimidine
CID 134577231
2-phenyl-5-[9-(5-phenylcyclohepta-1,4,6-trien-1-yl)-10-(6-phenyl-3-pyridinyl)anthracen-2-yl]pyridine
CID 134218966

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine (CID 162392887) is 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3c(-c4ccccc4)c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c4ccccc34)cn2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine?
The InChIKey is PQWXELDVDLIZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-5-15-31(16-6-1)41-28-26-36(30-47-41)43-39-24-14-13-23-37(39)38-27-25-35(29-40(38)42(43)32-17-7-2-8-18-32)46-49-44(33-19-9-3-10-20-33)48-45(50-46)34-21-11-4-12-22-34/h1-30H.
What are the key properties of 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine has a molecular weight of 638.77 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine is sourced from PubChem (CID 162392887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).