2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C35H25N3 — CID 170227940

IUPAC2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4ccccc4)N=C(c4ccc5ccc6ccccc6c5c4)N3)c2)cc1
InChIInChI=1S/C35H25N3/c1-3-10-24(11-4-1)28-15-9-16-29(22-28)34-36-33(27-13-5-2-6-14-27)37-35(38-34)30-21-20-26-19-18-25-12-7-8-17-31(25)32(26)23-30/h1-23,33H,(H,36,37,38)
InChIKeyLYBWRTJBAFFGBZ-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.16
Rot. Bonds4

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

2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170227940) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID170227940
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4ccccc4)N=C(c4ccc5ccc6ccccc6c5c4)N3)c2)cc1
InChIInChI=1S/C35H25N3/c1-3-10-24(11-4-1)28-15-9-16-29(22-28)34-36-33(27-13-5-2-6-14-27)37-35(38-34)30-21-20-26-19-18-25-12-7-8-17-31(25)32(26)23-30/h1-23,33H,(H,36,37,38)
InChIKeyLYBWRTJBAFFGBZ-UHFFFAOYSA-N
XLogP8.16
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
12-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163536905
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-naphthalen-2-yl-6-phenanthren-3-yl-4-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030224
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 155443108
2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
CID 166961343
5-(6-chrysen-3-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 166801245
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
4-(4-phenanthren-2-ylphenyl)-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 176616944
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 170227940) is 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2cccc(C3=NC(c4ccccc4)N=C(c4ccc5ccc6ccccc6c5c4)N3)c2)cc1.
What is the InChIKey of 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is LYBWRTJBAFFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c1-3-10-24(11-4-1)28-15-9-16-29(22-28)34-36-33(27-13-5-2-6-14-27)37-35(38-34)30-21-20-26-19-18-25-12-7-8-17-31(25)32(26)23-30/h1-23,33H,(H,36,37,38).
What are the key properties of 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 487.61 g/mol, XLogP of 8.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170227940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).