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

C132H81N9 — CID 158263624

About 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

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 (PubChem CID 158263624) has the molecular formula C132H81N9 and a molecular weight of 1793.16 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158263624
• Molecular Formula: C132H81N9
• Molecular Weight: 1793.16 g/mol
• Exact Mass: 1791.66
• IUPAC Name: 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
• SMILES: N#Cc1cc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)c3ccccc3)n2)ccn1.N#Cc1ccnc(-c2ccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)c3ccccc3)cn2)c1.N#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)c3ccccc3)n2)c1
• InChI: InChI=1S/3C44H27N3/c45-26-29-24-31(28-46-27-29)40-20-11-21-41(47-40)37-25-39-43(36-19-10-9-18-35(36)37)42-34-17-8-7-12-30(34)22-23-38(42)44(39,32-13-3-1-4-14-32)33-15-5-2-6-16-33;45-28-33-26-30(24-25-46-33)40-20-11-21-41(47-40)37-27-39-43(36-19-10-9-18-35(36)37)42-34-17-8-7-12-29(34)22-23-38(42)44(39,31-13-3-1-4-14-31)32-15-5-2-6-16-32;45-27-29-23-24-46-41(25-29)40-22-20-31(28-47-40)37-26-39-43(36-18-10-9-17-35(36)37)42-34-16-8-7-11-30(34)19-21-38(42)44(39,32-12-3-1-4-13-32)33-14-5-2-6-15-33/h1-25,27-28H;1-27H;1-26,28H
• InChIKey: GIEFJWMPQXSZKA-UHFFFAOYSA-N
• XLogP: 31.06
• TPSA: 148.71 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1793.16
LogP ≤ 5	31.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N#Cc1cc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)c3ccccc3)n2)ccn1.N#Cc1ccnc(-c2ccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)c3ccccc3)cn2)c1.N#Cc1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)c3ccccc3)n2)c1.

What is the InChIKey of 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?

The InChIKey is GIEFJWMPQXSZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H27N3/c45-26-29-24-31(28-46-27-29)40-20-11-21-41(47-40)37-25-39-43(36-19-10-9-18-35(36)37)42-34-17-8-7-12-30(34)22-23-38(42)44(39,32-13-3-1-4-14-32)33-15-5-2-6-16-33;45-28-33-26-30(24-25-46-33)40-20-11-21-41(47-40)37-27-39-43(36-19-10-9-18-35(36)37)42-34-17-8-7-12-29(34)22-23-38(42)44(39,31-13-3-1-4-14-31)32-15-5-2-6-16-32;45-27-29-23-24-46-41(25-29)40-22-20-31(28-47-40)37-26-39-43(36-18-10-9-17-35(36)37)42-34-16-8-7-11-30(34)19-21-38(42)44(39,32-12-3-1-4-13-32)33-14-5-2-6-15-33/h1-25,27-28H;1-27H;1-26,28H.

What are the key properties of 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?

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 has a molecular weight of 1793.16 g/mol, XLogP of 31.06, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158263624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).