5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile

C40H25N3 — CID 118397667

IUPAC5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C40H25N3/c41-24-27-22-28(26-42-25-27)37-20-11-21-38(43-37)34-23-36-39(32-17-8-7-16-31(32)34)33-18-9-10-19-35(33)40(36,29-12-3-1-4-13-29)30-14-5-2-6-15-30/h1-23,25-26H
InChIKeyCHTPHOCKYAWKOI-UHFFFAOYSA-N
MW547.66 g/mol
LogP9.20
Rot. Bonds4

About 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile

5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 118397667) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID118397667
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C40H25N3/c41-24-27-22-28(26-42-25-27)37-20-11-21-38(43-37)34-23-36-39(32-17-8-7-16-31(32)34)33-18-9-10-19-35(33)40(36,29-12-3-1-4-13-29)30-14-5-2-6-15-30/h1-23,25-26H
InChIKeyCHTPHOCKYAWKOI-UHFFFAOYSA-N
XLogP9.20
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118398141
5-[6-[7-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397708
2-[5-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-4-carbonitrile;4-[6-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-2-carbonitrile;5-[6-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-pyridinyl]pyridine-3-carbonitrile
CID 158263624
5-(6-naphtho[2,1-b][1]benzofuran-5-yl-2-pyridinyl)pyridine-3-carbonitrile
CID 118397923
5-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397208
5-[3-(6,9,9-triphenylfluoren-3-yl)phenyl]pyridine-3-carbonitrile
CID 118397562
4-[6-[9-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397326
5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769229
5-[6-[10-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769287
5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile
CID 118397292
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine
CID 122431228

Frequently Asked Questions

What is the IUPAC name of 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile (CID 118397667) is 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)c1.
What is the InChIKey of 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is CHTPHOCKYAWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c41-24-27-22-28(26-42-25-27)37-20-11-21-38(43-37)34-23-36-39(32-17-8-7-16-31(32)34)33-18-9-10-19-35(33)40(36,29-12-3-1-4-13-29)30-14-5-2-6-15-30/h1-23,25-26H.
What are the key properties of 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile?
5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 547.66 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118397667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).