4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile

C47H30N4 — CID 139522997

IUPAC4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)cc1
InChIInChI=1S/C47H30N4/c48-31-32-21-23-33(24-22-32)36-25-27-40-41-28-26-37(46-50-44(34-13-5-1-6-14-34)49-45(51-46)35-15-7-2-8-16-35)30-43(41)47(42(40)29-36,38-17-9-3-10-18-38)39-19-11-4-12-20-39/h1-30H
InChIKeyOETRCGAXEIVZPR-UHFFFAOYSA-N
MW650.79 g/mol
LogP10.77
Rot. Bonds6

About 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile

4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile (PubChem CID 139522997) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
PubChem CID139522997
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)cc1
InChIInChI=1S/C47H30N4/c48-31-32-21-23-33(24-22-32)36-25-27-40-41-28-26-37(46-50-44(34-13-5-1-6-14-34)49-45(51-46)35-15-7-2-8-16-35)30-43(41)47(42(40)29-36,38-17-9-3-10-18-38)39-19-11-4-12-20-39/h1-30H
InChIKeyOETRCGAXEIVZPR-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
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
9,9-diphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile
CID 162776109
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
4-[4-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]benzonitrile
CID 146539200
4-[9,9-diphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]fluoren-2-yl]benzonitrile;4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-3-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile
CID 159116328
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]phenyl]benzonitrile
CID 137413695
4-[3-[9-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]benzonitrile
CID 146539220
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)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171421356

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile?
The IUPAC name of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile (CID 139522997) is 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile?
The canonical SMILES for 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)cc1.
What is the InChIKey of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile?
The InChIKey is OETRCGAXEIVZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c48-31-32-21-23-33(24-22-32)36-25-27-40-41-28-26-37(46-50-44(34-13-5-1-6-14-34)49-45(51-46)35-15-7-2-8-16-35)30-43(41)47(42(40)29-36,38-17-9-3-10-18-38)39-19-11-4-12-20-39/h1-30H.
What are the key properties of 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile?
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile 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 4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile is sourced from PubChem (CID 139522997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).