2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile

C180H104N8 — CID 159650246

About 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile

2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile (PubChem CID 159650246) has the molecular formula C180H104N8 and a molecular weight of 2378.87 g/mol. Its IUPAC name is 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile
• PubChem CID: 159650246
• Molecular Formula: C180H104N8
• Molecular Weight: 2378.87 g/mol
• Exact Mass: 2376.84
• IUPAC Name: 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile
• SMILES: N#Cc1cc(-c2ccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)ccn1.[C-]#[N+]c1cc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)ccn1.[C-]#[N+]c1ccnc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c1.[C-]#[N+]c1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c1
• InChI: InChI=1S/4C45H26N2/c1-46-32-24-31(26-47-27-32)29-12-10-13-30(23-29)38-25-42-44(37-18-5-4-15-34(37)38)43-33-14-3-2-11-28(33)21-22-41(43)45(42)39-19-8-6-16-35(39)36-17-7-9-20-40(36)45;1-46-42-26-30(23-24-47-42)29-12-10-13-31(25-29)37-27-41-44(36-18-5-4-15-33(36)37)43-32-14-3-2-11-28(32)21-22-40(43)45(41)38-19-8-6-16-34(38)35-17-7-9-20-39(35)45;1-46-31-23-24-47-42(26-31)30-13-10-12-29(25-30)37-27-41-44(36-18-5-4-15-33(36)37)43-32-14-3-2-11-28(32)21-22-40(43)45(41)38-19-8-6-16-34(38)35-17-7-9-20-39(35)45;46-27-32-25-31(23-24-47-32)28-17-19-30(20-18-28)38-26-42-44(37-14-4-3-11-34(37)38)43-33-10-2-1-9-29(33)21-22-41(43)45(42)39-15-7-5-12-35(39)36-13-6-8-16-40(36)45/h3*2-27H;1-26H
• InChIKey: MRLWCDXUQVQGTQ-UHFFFAOYSA-N
• XLogP: 45.79
• TPSA: 88.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2378.87
LogP ≤ 5	45.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile?

The IUPAC name of 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile (CID 159650246) is 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile.

What is the SMILES notation for 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile?

The canonical SMILES for 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)ccn1.[C-]#[N+]c1cc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)ccn1.[C-]#[N+]c1ccnc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c1.[C-]#[N+]c1cncc(-c2cccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)c2)c1.

What is the InChIKey of 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile?

The InChIKey is MRLWCDXUQVQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H26N2/c1-46-32-24-31(26-47-27-32)29-12-10-13-30(23-29)38-25-42-44(37-18-5-4-15-34(37)38)43-33-14-3-2-11-28(33)21-22-41(43)45(42)39-19-8-6-16-35(39)36-17-7-9-20-40(36)45;1-46-42-26-30(23-24-47-42)29-12-10-13-31(25-29)37-27-41-44(36-18-5-4-15-33(36)37)43-32-14-3-2-11-28(32)21-22-40(43)45(41)38-19-8-6-16-34(38)35-17-7-9-20-39(35)45;1-46-31-23-24-47-42(26-31)30-13-10-12-29(25-30)37-27-41-44(36-18-5-4-15-33(36)37)43-32-14-3-2-11-28(32)21-22-40(43)45(41)38-19-8-6-16-34(38)35-17-7-9-20-39(35)45;46-27-32-25-31(23-24-47-32)28-17-19-30(20-18-28)38-26-42-44(37-14-4-3-11-34(37)38)43-33-10-2-1-9-29(33)21-22-41(43)45(42)39-15-7-5-12-35(39)36-13-6-8-16-40(36)45/h3*2-27H;1-26H.

What are the key properties of 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile?

2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile has a molecular weight of 2378.87 g/mol, XLogP of 45.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-isocyano-4-(3-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'-ylphenyl)pyridine;3-isocyano-5-(3-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'-ylphenyl)pyridine;4-isocyano-2-(3-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'-ylphenyl)pyridine;4-(4-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'-ylphenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 159650246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).