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

C64H41N5 — CID 171422048

IUPAC9,9-diphenyl-7-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]phenyl]fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc(-c4cc(-c5ccccn5)cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)cc3)ccc1-2
InChIInChI=1S/C64H41N5/c65-42-43-24-34-56-57-35-33-50(41-59(57)64(58(56)37-43,54-19-9-3-10-20-54)55-21-11-4-12-22-55)46-25-27-47(28-26-46)51-38-52(60-23-13-14-36-66-60)40-53(39-51)63-68-61(48-17-7-2-8-18-48)67-62(69-63)49-31-29-45(30-32-49)44-15-5-1-6-16-44/h1-41H
InChIKeyYTPUQPGXZSLNIT-UHFFFAOYSA-N
MW880.07 g/mol
LogP15.17
Rot. Bonds9

About 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

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 (PubChem CID 171422048) has the molecular formula C64H41N5 and a molecular weight of 880.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-diphenyl-7-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]phenyl]fluorene-2-carbonitrile
PubChem CID171422048
Molecular FormulaC64H41N5
Molecular Weight880.07 g/mol
Exact Mass879.34
IUPAC Name9,9-diphenyl-7-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]phenyl]fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc(-c4cc(-c5ccccn5)cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)cc3)ccc1-2
InChIInChI=1S/C64H41N5/c65-42-43-24-34-56-57-35-33-50(41-59(57)64(58(56)37-43,54-19-9-3-10-20-54)55-21-11-4-12-22-55)46-25-27-47(28-26-46)51-38-52(60-23-13-14-36-66-60)40-53(39-51)63-68-61(48-17-7-2-8-18-48)67-62(69-63)49-31-29-45(30-32-49)44-15-5-1-6-16-44/h1-41H
InChIKeyYTPUQPGXZSLNIT-UHFFFAOYSA-N
XLogP15.17
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.07
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171421356
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
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
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
9,9-dimethyl-7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]fluorene-2-carbonitrile
CID 171421555
9,9-dimethyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-2-ylphenyl]fluorene-3-carbonitrile
CID 171421967

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc(-c4cc(-c5ccccn5)cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)cc3)ccc1-2.
What is the InChIKey of 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?
The InChIKey is YTPUQPGXZSLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5/c65-42-43-24-34-56-57-35-33-50(41-59(57)64(58(56)37-43,54-19-9-3-10-20-54)55-21-11-4-12-22-55)46-25-27-47(28-26-46)51-38-52(60-23-13-14-36-66-60)40-53(39-51)63-68-61(48-17-7-2-8-18-48)67-62(69-63)49-31-29-45(30-32-49)44-15-5-1-6-16-44/h1-41H.
What are the key properties of 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?
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 has a molecular weight of 880.07 g/mol, XLogP of 15.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171422048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).