5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile

C43H28N2 — CID 118397562

IUPAC5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C4(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C43H28N2/c44-27-30-23-36(29-45-28-30)33-14-10-13-32(24-33)35-20-22-42-40(26-35)39-25-34(31-11-4-1-5-12-31)19-21-41(39)43(42,37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-26,28-29H
InChIKeySIHSCJMVTMDWHP-UHFFFAOYSA-N
MW572.71 g/mol
LogP10.32
Rot. Bonds5

About 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile

5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile (PubChem CID 118397562) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile
PubChem CID118397562
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C4(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C43H28N2/c44-27-30-23-36(29-45-28-30)33-14-10-13-32(24-33)35-20-22-42-40(26-35)39-25-34(31-11-4-1-5-12-31)19-21-41(39)43(42,37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-26,28-29H
InChIKeySIHSCJMVTMDWHP-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

5-[6-[7-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397708
9,9-diphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-2-carbonitrile
CID 162776109
4-[4-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]benzonitrile
CID 146539200
5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile
CID 118397292
5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118398141
5-[6-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]-9,9-diphenylfluoren-3-yl]pyridine-3-carbonitrile
CID 144925213
4-[4-(4-cyanophenyl)-6-[3-(9-phenyl-9-pyridin-4-ylfluoren-3-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 142384908
3,9,9-triphenylfluorene
CID 140844354
5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397667
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146631972
5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
CID 118397183
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile (CID 118397562) is 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C4(c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile?
The InChIKey is SIHSCJMVTMDWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c44-27-30-23-36(29-45-28-30)33-14-10-13-32(24-33)35-20-22-42-40(26-35)39-25-34(31-11-4-1-5-12-31)19-21-41(39)43(42,37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-26,28-29H.
What are the key properties of 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile?
5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile 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 5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118397562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).