N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile

C186H118FN7 — CID 160768503

About N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile

N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile (PubChem CID 160768503) has the molecular formula C186H118FN7 and a molecular weight of 2470.04 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile
• PubChem CID: 160768503
• Molecular Formula: C186H118FN7
• Molecular Weight: 2470.04 g/mol
• Exact Mass: 2467.94
• IUPAC Name: N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile
• SMILES: CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)cc1.N#Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)cc1.N#Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)C1(c2ccccc2-c2ccccc21)c1ccc2ccccc2c1-3.[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)c1
• InChI: InChI=1S/C48H34FN.3C46H28N2/c1-30(2)31-15-21-36(22-16-31)50(37-24-19-35(49)20-25-37)38-23-17-33-28-42-46(29-34(33)27-38)48(45-26-18-32-9-3-4-10-39(32)47(42)45)43-13-7-5-11-40(43)41-12-6-8-14-44(41)48;1-47-33-13-11-16-35(29-33)48(34-14-3-2-4-15-34)36-24-22-31-27-40-44(28-32(31)26-36)46(43-25-23-30-12-5-6-17-37(30)45(40)43)41-20-9-7-18-38(41)39-19-8-10-21-42(39)46;47-29-32-13-5-11-21-44(32)48(34-14-2-1-3-15-34)35-24-22-31-27-39-43(28-33(31)26-35)46(42-25-23-30-12-4-6-16-36(30)45(39)42)40-19-9-7-17-37(40)38-18-8-10-20-41(38)46;47-29-30-18-22-35(23-19-30)48(34-11-2-1-3-12-34)36-24-20-32-27-40-44(28-33(32)26-36)46(43-25-21-31-10-4-5-13-37(31)45(40)43)41-16-8-6-14-38(41)39-15-7-9-17-42(39)46/h3-30H,1-2H3;2-29H;2*1-28H
• InChIKey: RYZRWIXQKMSVLP-UHFFFAOYSA-N
• XLogP: 48.78
• TPSA: 64.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2470.04
LogP ≤ 5	48.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile?

The IUPAC name of N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile (CID 160768503) is N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile.

What is the SMILES notation for N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile?

The canonical SMILES for N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile is CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)cc1.N#Cc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)cc1.N#Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)C1(c2ccccc2-c2ccccc21)c1ccc2ccccc2c1-3.[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)c1.

What is the InChIKey of N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile?

The InChIKey is RYZRWIXQKMSVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34FN.3C46H28N2/c1-30(2)31-15-21-36(22-16-31)50(37-24-19-35(49)20-25-37)38-23-17-33-28-42-46(29-34(33)27-38)48(45-26-18-32-9-3-4-10-39(32)47(42)45)43-13-7-5-11-40(43)41-12-6-8-14-44(41)48;1-47-33-13-11-16-35(29-33)48(34-14-3-2-4-15-34)36-24-22-31-27-40-44(28-32(31)26-36)46(43-25-23-30-12-5-6-17-37(30)45(40)43)41-20-9-7-18-38(41)39-19-8-10-21-42(39)46;47-29-32-13-5-11-21-44(32)48(34-14-2-1-3-15-34)35-24-22-31-27-39-43(28-33(31)26-35)46(42-25-23-30-12-4-6-16-36(30)45(39)42)40-19-9-7-17-37(40)38-18-8-10-20-41(38)46;47-29-30-18-22-35(23-19-30)48(34-11-2-1-3-12-34)36-24-20-32-27-40-44(28-33(32)26-36)46(43-25-21-31-10-4-5-13-37(31)45(40)43)41-16-8-6-14-38(41)39-15-7-9-17-42(39)46/h3-30H,1-2H3;2-29H;2*1-28H.

What are the key properties of N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile?

N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile has a molecular weight of 2470.04 g/mol, XLogP of 48.78, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;N-(3-isocyanophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine;2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile;4-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylanilino)benzonitrile is sourced from PubChem (CID 160768503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).