4-(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)pyridine-2-carbonitrile

C39H24N2 — CID 126502555

IUPAC4-(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)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C39H24N2/c40-25-30-23-27(21-22-41-30)34-24-36-38(33-18-10-9-17-32(33)34)37-31-16-8-7-11-26(31)19-20-35(37)39(36,28-12-3-1-4-13-28)29-14-5-2-6-15-29/h1-24H
InChIKeyYSGVDBCDMITEST-UHFFFAOYSA-N
MW520.64 g/mol
LogP9.29
Rot. Bonds3

About 4-(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)pyridine-2-carbonitrile

4-(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)pyridine-2-carbonitrile (PubChem CID 126502555) has the molecular formula C39H24N2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 4-(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)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(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)pyridine-2-carbonitrile
PubChem CID126502555
Molecular FormulaC39H24N2
Molecular Weight520.64 g/mol
Exact Mass520.19
IUPAC Name4-(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)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C39H24N2/c40-25-30-23-27(21-22-41-30)34-24-36-38(33-18-10-9-17-32(33)34)37-31-16-8-7-11-26(31)19-20-35(37)39(36,28-12-3-1-4-13-28)29-14-5-2-6-15-29/h1-24H
InChIKeyYSGVDBCDMITEST-UHFFFAOYSA-N
XLogP9.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(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)pyridine-2-carbonitrile with MolForge

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Related Compounds

4-[3-(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)phenyl]pyridine-2-carbonitrile
CID 118398092
4-[4-(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)phenyl]pyridine-2-carbonitrile
CID 118398094
4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]pyridine-2-carbonitrile
CID 118398099
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
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
4-[3-(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)phenyl]-2-isocyanopyridine
CID 140769471
4-[15'-(2-isocyano-4-pyridinyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]pyridine-2-carbonitrile
CID 140769244
4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile
CID 118397566
4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397477
4-[4-(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)phenyl]pyridine-2-carbonitrile
CID 118397235
4-[10-[10-(2-cyano-4-pyridinyl)anthracen-9-yl]anthracen-9-yl]pyridine-2-carbonitrile
CID 118397821
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine-2-carbonitrile
CID 118398135

Frequently Asked Questions

What is the IUPAC name of 4-(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)pyridine-2-carbonitrile?
The IUPAC name of 4-(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)pyridine-2-carbonitrile (CID 126502555) is 4-(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)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(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)pyridine-2-carbonitrile?
The canonical SMILES for 4-(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)pyridine-2-carbonitrile is N#Cc1cc(-c2cc3c(c4ccccc24)-c2c(ccc4ccccc24)C3(c2ccccc2)c2ccccc2)ccn1.
What is the InChIKey of 4-(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)pyridine-2-carbonitrile?
The InChIKey is YSGVDBCDMITEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2/c40-25-30-23-27(21-22-41-30)34-24-36-38(33-18-10-9-17-32(33)34)37-31-16-8-7-11-26(31)19-20-35(37)39(36,28-12-3-1-4-13-28)29-14-5-2-6-15-29/h1-24H.
What are the key properties of 4-(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)pyridine-2-carbonitrile?
4-(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)pyridine-2-carbonitrile has a molecular weight of 520.64 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(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)pyridine-2-carbonitrile is sourced from PubChem (CID 126502555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).