1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine

C47H34N4 — CID 159367985

IUPAC1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc3ccc4ccccc4c3c2)=NC1c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccn2)c1
InChIInChI=1S/C47H34N4/c1-51-46(37-15-6-3-7-16-37)49-45(38-26-25-36-24-23-35-14-8-9-17-42(35)43(36)31-38)50-47(51)41-29-39(28-40(30-41)44-18-10-11-27-48-44)34-21-19-33(20-22-34)32-12-4-2-5-13-32/h2-31,47H,1H3
InChIKeyLJJJOXIODQZPNT-UHFFFAOYSA-N
MW654.82 g/mol
LogP11.23
Rot. Bonds6

About 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine

1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine (PubChem CID 159367985) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine
PubChem CID159367985
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc3ccc4ccccc4c3c2)=NC1c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccn2)c1
InChIInChI=1S/C47H34N4/c1-51-46(37-15-6-3-7-16-37)49-45(38-26-25-36-24-23-35-14-8-9-17-42(35)43(36)31-38)50-47(51)41-29-39(28-40(30-41)44-18-10-11-27-48-44)34-21-19-33(20-22-34)32-12-4-2-5-13-32/h2-31,47H,1H3
InChIKeyLJJJOXIODQZPNT-UHFFFAOYSA-N
XLogP11.23
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 511.23
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

1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
CID 122431241
2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
CID 170230680
1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
CID 142593018
4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
CID 163672224
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine
CID 139441741
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
4-[3-(4-cyanophenyl)-5-[9,9-difluoro-7-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)fluoren-2-yl]phenyl]benzonitrile
CID 135247155
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
CID 118122927
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine?
The IUPAC name of 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine (CID 159367985) is 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine.
What is the SMILES notation for 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine?
The canonical SMILES for 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2ccc3ccc4ccccc4c3c2)=NC1c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccccn2)c1.
What is the InChIKey of 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine?
The InChIKey is LJJJOXIODQZPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-51-46(37-15-6-3-7-16-37)49-45(38-26-25-36-24-23-35-14-8-9-17-42(35)43(36)31-38)50-47(51)41-29-39(28-40(30-41)44-18-10-11-27-48-44)34-21-19-33(20-22-34)32-12-4-2-5-13-32/h2-31,47H,1H3.
What are the key properties of 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine?
1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine has a molecular weight of 654.82 g/mol, XLogP of 11.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine is sourced from PubChem (CID 159367985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).