4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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

C45H26N4 — CID 144924779

About 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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

4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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 (PubChem CID 144924779) has the molecular formula C45H26N4 and a molecular weight of 622.73 g/mol. Its IUPAC name is 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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.

Molecular Properties

• Compound Name: 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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
• PubChem CID: 144924779
• Molecular Formula: C45H26N4
• Molecular Weight: 622.73 g/mol
• Exact Mass: 622.22
• IUPAC Name: 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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
• SMILES: N#Cc1cc(-c2cc3c(c4ccccc24)-c2c(cc(C4=CC(C#N)NC=C4)c4ccccc24)C32c3ccccc3-c3ccccc32)ccn1
• InChI: InChI=1S/C45H26N4/c46-25-29-21-27(17-19-48-29)37-23-41-43(35-13-3-1-9-31(35)37)44-36-14-4-2-10-32(36)38(28-18-20-49-30(22-28)26-47)24-42(44)45(41)39-15-7-5-11-33(39)34-12-6-8-16-40(34)45/h1-24,29,48H
• InChIKey: HEWQOYWNQLIXHC-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 72.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.73
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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?

The IUPAC name of 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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 144924779) is 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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.

What is the SMILES notation for 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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?

The canonical SMILES for 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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 is N#Cc1cc(-c2cc3c(c4ccccc24)-c2c(cc(C4=CC(C#N)NC=C4)c4ccccc24)C32c3ccccc3-c3ccccc32)ccn1.

What is the InChIKey of 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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?

The InChIKey is HEWQOYWNQLIXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4/c46-25-29-21-27(17-19-48-29)37-23-41-43(35-13-3-1-9-31(35)37)44-36-14-4-2-10-32(36)38(28-18-20-49-30(22-28)26-47)24-42(44)45(41)39-15-7-5-11-33(39)34-12-6-8-16-40(34)45/h1-24,29,48H.

What are the key properties of 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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?

4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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 has a molecular weight of 622.73 g/mol, XLogP of 9.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[15'-(2-cyano-1,2-dihydropyridin-4-yl)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 is sourced from PubChem (CID 144924779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).