9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile

C47H30N4 — CID 155767759

IUPAC9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc1-2
InChIInChI=1S/C47H30N4/c48-31-32-21-27-40-41-28-26-37(30-43(41)47(42(40)29-32,38-17-9-3-10-18-38)39-19-11-4-12-20-39)46-50-44(35-15-7-2-8-16-35)49-45(51-46)36-24-22-34(23-25-36)33-13-5-1-6-14-33/h1-30H
InChIKeyNGAHOYYKJRTZIY-UHFFFAOYSA-N
MW650.79 g/mol
LogP10.77
Rot. Bonds6

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

9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile (PubChem CID 155767759) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile.

Molecular Properties

Compound Name9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
PubChem CID155767759
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc1-2
InChIInChI=1S/C47H30N4/c48-31-32-21-27-40-41-28-26-37(30-43(41)47(42(40)29-32,38-17-9-3-10-18-38)39-19-11-4-12-20-39)46-50-44(35-15-7-2-8-16-35)49-45(51-46)36-24-22-34(23-25-36)33-13-5-1-6-14-33/h1-30H
InChIKeyNGAHOYYKJRTZIY-UHFFFAOYSA-N
XLogP10.77
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 139522997
9,9-diphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile
CID 162776109
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171421356
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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 146362213
7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171422096
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]phenyl]benzonitrile
CID 137413695
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile?
The IUPAC name of 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile (CID 155767759) is 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile.
What is the SMILES notation for 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile?
The canonical SMILES for 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile is N#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc1-2.
What is the InChIKey of 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile?
The InChIKey is NGAHOYYKJRTZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c48-31-32-21-27-40-41-28-26-37(30-43(41)47(42(40)29-32,38-17-9-3-10-18-38)39-19-11-4-12-20-39)46-50-44(35-15-7-2-8-16-35)49-45(51-46)36-24-22-34(23-25-36)33-13-5-1-6-14-33/h1-30H.
What are the key properties of 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile?
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile has a molecular weight of 650.79 g/mol, XLogP of 10.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile is sourced from PubChem (CID 155767759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).