5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile

C52H41N5 — CID 130380949

IUPAC5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile
SMILESCC1(C)CC(C)(C)c2cc(-c3ncc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)cc3C#N)ccc21
InChIInChI=1S/C52H41N5/c1-51(2)33-52(3,4)46-30-40(24-25-45(46)51)47-43(31-53)29-44(32-54-47)50-56-48(41-22-12-19-37(27-41)35-16-9-6-10-17-35)55-49(57-50)42-23-13-21-39(28-42)38-20-11-18-36(26-38)34-14-7-5-8-15-34/h5-30,32H,33H2,1-4H3
InChIKeyHDQMLMBXFXDGRW-UHFFFAOYSA-N
MW735.94 g/mol
LogP12.77
Rot. Bonds7

About 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile

5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile (PubChem CID 130380949) has the molecular formula C52H41N5 and a molecular weight of 735.94 g/mol. Its IUPAC name is 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile
PubChem CID130380949
Molecular FormulaC52H41N5
Molecular Weight735.94 g/mol
Exact Mass735.34
IUPAC Name5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile
SMILESCC1(C)CC(C)(C)c2cc(-c3ncc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)cc3C#N)ccc21
InChIInChI=1S/C52H41N5/c1-51(2)33-52(3,4)46-30-40(24-25-45(46)51)47-43(31-53)29-44(32-54-47)50-56-48(41-22-12-19-37(27-41)35-16-9-6-10-17-35)55-49(57-50)42-23-13-21-39(28-42)38-20-11-18-36(26-38)34-14-7-5-8-15-34/h5-30,32H,33H2,1-4H3
InChIKeyHDQMLMBXFXDGRW-UHFFFAOYSA-N
XLogP12.77
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.94
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile with MolForge

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Related Compounds

2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 171749163
9,9-dimethyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
CID 166796594
9,9-dimethyl-6-[4-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-4-carbonitrile
CID 159895253
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 162776047
9,9-dimethyl-6-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 162775792
2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 171749065
2-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-3-pyridinyl]-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 130376269
8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline
CID 171749073
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 166796495
7-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-3-carbonitrile
CID 162775744
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile (CID 130380949) is 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile is CC1(C)CC(C)(C)c2cc(-c3ncc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)cc3C#N)ccc21.
What is the InChIKey of 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile?
The InChIKey is HDQMLMBXFXDGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N5/c1-51(2)33-52(3,4)46-30-40(24-25-45(46)51)47-43(31-53)29-44(32-54-47)50-56-48(41-22-12-19-37(27-41)35-16-9-6-10-17-35)55-49(57-50)42-23-13-21-39(28-42)38-20-11-18-36(26-38)34-14-7-5-8-15-34/h5-30,32H,33H2,1-4H3.
What are the key properties of 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile?
5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile has a molecular weight of 735.94 g/mol, XLogP of 12.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 130380949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).