3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile

C47H30N4 — CID 142453560

IUPAC3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc3c(cc2-c2cc(-c4ccccn4)nc(-c4ccccn4)c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C47H30N4/c48-31-32-14-13-15-33(26-32)39-30-42-40(37-20-7-8-21-41(37)47(42,35-16-3-1-4-17-35)36-18-5-2-6-19-36)29-38(39)34-27-45(43-22-9-11-24-49-43)51-46(28-34)44-23-10-12-25-50-44/h1-30H
InChIKeyNIODZNLDNVMPMY-UHFFFAOYSA-N
MW650.79 g/mol
LogP10.77
Rot. Bonds6

About 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile

3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile (PubChem CID 142453560) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile
PubChem CID142453560
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc3c(cc2-c2cc(-c4ccccn4)nc(-c4ccccn4)c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C47H30N4/c48-31-32-14-13-15-33(26-32)39-30-42-40(37-20-7-8-21-41(37)47(42,35-16-3-1-4-17-35)36-18-5-2-6-19-36)29-38(39)34-27-45(43-22-9-11-24-49-43)51-46(28-34)44-23-10-12-25-50-44/h1-30H
InChIKeyNIODZNLDNVMPMY-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

4-[9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-yl]-2,6-dipyridin-2-ylpyridine
CID 142453592
2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile
CID 142453663
4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-3-yl]benzonitrile
CID 146367825
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-2,6-dipyridin-2-ylpyridine
CID 138573850
2-[4-(9,9-diphenyl-2-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
CID 142453488
7-[3-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171421517
7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171422096
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
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile?
The IUPAC name of 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile (CID 142453560) is 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile.
What is the SMILES notation for 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile?
The canonical SMILES for 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile is N#Cc1cccc(-c2cc3c(cc2-c2cc(-c4ccccn4)nc(-c4ccccn4)c2)-c2ccccc2C3(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile?
The InChIKey is NIODZNLDNVMPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c48-31-32-14-13-15-33(26-32)39-30-42-40(37-20-7-8-21-41(37)47(42,35-16-3-1-4-17-35)36-18-5-2-6-19-36)29-38(39)34-27-45(43-22-9-11-24-49-43)51-46(28-34)44-23-10-12-25-50-44/h1-30H.
What are the key properties of 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile?
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-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 3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-2-yl]benzonitrile is sourced from PubChem (CID 142453560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).