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

C53H34N4 — CID 166796555

IUPAC9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
SMILESN#Cc1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H34N4/c54-35-43-18-13-23-47-49(43)46-33-32-42(34-48(46)53(47,44-19-9-3-10-20-44)45-21-11-4-12-22-45)38-26-30-41(31-27-38)52-56-50(39-16-7-2-8-17-39)55-51(57-52)40-28-24-37(25-29-40)36-14-5-1-6-15-36/h1-34H
InChIKeyLIYUMSXZDJTAQV-UHFFFAOYSA-N
MW726.88 g/mol
LogP12.44
Rot. Bonds7

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

9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile (PubChem CID 166796555) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile.

Molecular Properties

Compound Name9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
PubChem CID166796555
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
SMILESN#Cc1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C53H34N4/c54-35-43-18-13-23-47-49(43)46-33-32-42(34-48(46)53(47,44-19-9-3-10-20-44)45-21-11-4-12-22-45)38-26-30-41(31-27-38)52-56-50(39-16-7-2-8-17-39)55-51(57-52)40-28-24-37(25-29-40)36-14-5-1-6-15-36/h1-34H
InChIKeyLIYUMSXZDJTAQV-UHFFFAOYSA-N
XLogP12.44
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7'-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
CID 166796512
9,9-diphenyl-7-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 158885257
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 139522997
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750088
7-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749717
2-[4-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162776080
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
CID 162776368

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile?
The IUPAC name of 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile (CID 166796555) is 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile.
What is the SMILES notation for 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile?
The canonical SMILES for 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile is N#Cc1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile?
The InChIKey is LIYUMSXZDJTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c54-35-43-18-13-23-47-49(43)46-33-32-42(34-48(46)53(47,44-19-9-3-10-20-44)45-21-11-4-12-22-45)38-26-30-41(31-27-38)52-56-50(39-16-7-2-8-17-39)55-51(57-52)40-28-24-37(25-29-40)36-14-5-1-6-15-36/h1-34H.
What are the key properties of 9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile?
9,9-diphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile has a molecular weight of 726.88 g/mol, XLogP of 12.44, 7 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-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile is sourced from PubChem (CID 166796555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).