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

C51H32N4 — CID 159211457

IUPAC4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c2-3)cc1
InChIInChI=1S/C51H32N4/c52-33-34-25-27-35(28-26-34)38-29-30-43-45(31-38)51(39-19-9-3-10-20-39,40-21-11-4-12-22-40)46-32-44(41-23-13-14-24-42(41)47(43)46)50-54-48(36-15-5-1-6-16-36)53-49(55-50)37-17-7-2-8-18-37/h1-32H
InChIKeyQKGBPWMGDSCGOI-UHFFFAOYSA-N
MW700.85 g/mol
LogP11.93
Rot. Bonds6

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

4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile (PubChem CID 159211457) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
PubChem CID159211457
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c2-3)cc1
InChIInChI=1S/C51H32N4/c52-33-34-25-27-35(28-26-34)38-29-30-43-45(31-38)51(39-19-9-3-10-20-39,40-21-11-4-12-22-40)46-32-44(41-23-13-14-24-42(41)47(43)46)50-54-48(36-15-5-1-6-16-36)53-49(55-50)37-17-7-2-8-18-37/h1-32H
InChIKeyQKGBPWMGDSCGOI-UHFFFAOYSA-N
XLogP11.93
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 139522997
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
2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-carbonitrile;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]benzonitrile;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-carbonitrile;4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-yl]benzonitrile;2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-carbonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-yl]benzonitrile
CID 162067244
4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile
CID 157459321
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
4-[4-[4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 171588962
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]phenyl]benzonitrile
CID 137413695
9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
CID 166796555
5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118398141
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindeno[1,2-e][1]benzofuran-6-yl]benzonitrile
CID 158353180

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile?
The IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile (CID 159211457) is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile.
What is the SMILES notation for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile?
The canonical SMILES for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c2-3)cc1.
What is the InChIKey of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile?
The InChIKey is QKGBPWMGDSCGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c52-33-34-25-27-35(28-26-34)38-29-30-43-45(31-38)51(39-19-9-3-10-20-39,40-21-11-4-12-22-40)46-32-44(41-23-13-14-24-42(41)47(43)46)50-54-48(36-15-5-1-6-16-36)53-49(55-50)37-17-7-2-8-18-37/h1-32H.
What are the key properties of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile?
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile has a molecular weight of 700.85 g/mol, XLogP of 11.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile is sourced from PubChem (CID 159211457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).