7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile

C58H37N5 — CID 171421356

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1-2
InChIInChI=1S/C58H37N5/c59-38-39-24-30-50-51-31-29-44(37-53(51)58(52(50)33-39,48-19-9-3-10-20-48)49-21-11-4-12-22-49)46-34-45(40-25-27-41(28-26-40)54-23-13-14-32-60-54)35-47(36-46)57-62-55(42-15-5-1-6-16-42)61-56(63-57)43-17-7-2-8-18-43/h1-37H
InChIKeyILUWBUWMJLUOQL-UHFFFAOYSA-N
MW803.97 g/mol
LogP13.50
Rot. Bonds8

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile (PubChem CID 171421356) has the molecular formula C58H37N5 and a molecular weight of 803.97 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile
PubChem CID171421356
Molecular FormulaC58H37N5
Molecular Weight803.97 g/mol
Exact Mass803.30
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1-2
InChIInChI=1S/C58H37N5/c59-38-39-24-30-50-51-31-29-44(37-53(51)58(52(50)33-39,48-19-9-3-10-20-48)49-21-11-4-12-22-49)46-34-45(40-25-27-41(28-26-40)54-23-13-14-32-60-54)35-47(36-46)57-62-55(42-15-5-1-6-16-42)61-56(63-57)43-17-7-2-8-18-43/h1-37H
InChIKeyILUWBUWMJLUOQL-UHFFFAOYSA-N
XLogP13.50
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,9-diphenyl-7-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]phenyl]fluorene-2-carbonitrile
CID 171422048
7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171422096
7-[3-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171421517
9,9-diphenyl-7-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]fluorene-2-carbonitrile
CID 171421536
9,9-diphenyl-7-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 158885257
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 139522997
7-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421532
9,9-diphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile
CID 162776109
9,9-dimethyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-2-ylphenyl]fluorene-3-carbonitrile
CID 171421967
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile (CID 171421356) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile is N#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1-2.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile?
The InChIKey is ILUWBUWMJLUOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5/c59-38-39-24-30-50-51-31-29-44(37-53(51)58(52(50)33-39,48-19-9-3-10-20-48)49-21-11-4-12-22-49)46-34-45(40-25-27-41(28-26-40)54-23-13-14-32-60-54)35-47(36-46)57-62-55(42-15-5-1-6-16-42)61-56(63-57)43-17-7-2-8-18-43/h1-37H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile has a molecular weight of 803.97 g/mol, XLogP of 13.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile is sourced from PubChem (CID 171421356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).