4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine

C38H28N6 — CID 162652616

IUPAC4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cn(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)nn3)cc21
InChIInChI=1S/C38H28N6/c1-38(2)31-10-4-3-9-29(31)30-18-15-26(21-32(30)38)37-24-44(43-42-37)28-16-13-25(14-17-28)27-22-35(33-11-5-7-19-39-33)41-36(23-27)34-12-6-8-20-40-34/h3-24H,1-2H3
InChIKeyQYVXAVHHMQYWHM-UHFFFAOYSA-N
MW568.68 g/mol
LogP8.43
Rot. Bonds5

About 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 162652616) has the molecular formula C38H28N6 and a molecular weight of 568.68 g/mol. Its IUPAC name is 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID162652616
Molecular FormulaC38H28N6
Molecular Weight568.68 g/mol
Exact Mass568.24
IUPAC Name4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cn(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)nn3)cc21
InChIInChI=1S/C38H28N6/c1-38(2)31-10-4-3-9-29(31)30-18-15-26(21-32(30)38)37-24-44(43-42-37)28-16-13-25(14-17-28)27-22-35(33-11-5-7-19-39-33)41-36(23-27)34-12-6-8-20-40-34/h3-24H,1-2H3
InChIKeyQYVXAVHHMQYWHM-UHFFFAOYSA-N
XLogP8.43
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine with MolForge

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Related Compounds

3-[4-[[4-(3-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155564309
7-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(triazol-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]isoquinoline
CID 145950417
3-(5-methyl-4-(naphthalen-2-yl)-1H-1,2,3-triazol-1-yl)pyridine
CID 45484973
4-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]benzonitrile
CID 162648316
Anticancer agent 54
CID 162653636
4-[4-(4-Phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
2,6-Dipyridin-2-yl-4-[4-(4-pyridin-2-yltriazol-1-yl)phenyl]pyridine
CID 162676607
4-[4-(4-Dodecyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162643193
3-[1-[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]triazol-4-yl]-9-octylcarbazole
CID 162659787
3-[1-[4-(4-Tert-butylphenyl)triazol-1-yl]ethyl]-9-methyl-carbazole
CID 57414400
4,13,14-Trimethyl-5-[(4-phenanthren-9-yltriazol-1-yl)methyl]-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 145965566
4,13,14-Trimethyl-5-[[4-(4-methylphenyl)triazol-1-yl]methyl]-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 145969852

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine (CID 162652616) is 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine is CC1(C)c2ccccc2-c2ccc(-c3cn(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)nn3)cc21.
What is the InChIKey of 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is QYVXAVHHMQYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N6/c1-38(2)31-10-4-3-9-29(31)30-18-15-26(21-32(30)38)37-24-44(43-42-37)28-16-13-25(14-17-28)27-22-35(33-11-5-7-19-39-33)41-36(23-27)34-12-6-8-20-40-34/h3-24H,1-2H3.
What are the key properties of 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 568.68 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(9,9-dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 162652616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).