2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile

C43H28N2 — CID 142453663

IUPAC2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccccn3)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C43H28N2/c44-29-32-13-7-8-18-35(32)38-27-39-36-19-9-10-20-40(36)43(33-14-3-1-4-15-33,34-16-5-2-6-17-34)41(39)28-37(38)30-22-24-31(25-23-30)42-21-11-12-26-45-42/h1-28H
InChIKeyHGXLCHLCAVFCSA-UHFFFAOYSA-N
MW572.71 g/mol
LogP10.32
Rot. Bonds5

About 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile

2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile (PubChem CID 142453663) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile
PubChem CID142453663
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccccn3)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C43H28N2/c44-29-32-13-7-8-18-35(32)38-27-39-36-19-9-10-20-40(36)43(33-14-3-1-4-15-33,34-16-5-2-6-17-34)41(39)28-37(38)30-22-24-31(25-23-30)42-21-11-12-26-45-42/h1-28H
InChIKeyHGXLCHLCAVFCSA-UHFFFAOYSA-N
XLogP10.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9,9-diphenyl-2-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
CID 142453488
4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine
CID 142453592
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 142453560
2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
CID 138574268
4-[2-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]benzonitrile
CID 142453679
4-[3-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 142453638
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]phenyl]benzonitrile
CID 137413695
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 160861810
4-[6-(4-pyridin-2-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidin-4-yl]benzonitrile
CID 130268414

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile?
The IUPAC name of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile (CID 142453663) is 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile.
What is the SMILES notation for 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile?
The canonical SMILES for 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile is N#Cc1ccccc1-c1cc2c(cc1-c1ccc(-c3ccccn3)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile?
The InChIKey is HGXLCHLCAVFCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c44-29-32-13-7-8-18-35(32)38-27-39-36-19-9-10-20-40(36)43(33-14-3-1-4-15-33,34-16-5-2-6-17-34)41(39)28-37(38)30-22-24-31(25-23-30)42-21-11-12-26-45-42/h1-28H.
What are the key properties of 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile?
2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile has a molecular weight of 572.71 g/mol, XLogP of 10.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile is sourced from PubChem (CID 142453663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).