N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline

C165H101N3 — CID 167535037

About N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline

N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline (PubChem CID 167535037) has the molecular formula C165H101N3 and a molecular weight of 2125.64 g/mol. Its IUPAC name is N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline.

Molecular Properties

• Compound Name: N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline
• PubChem CID: 167535037
• Molecular Formula: C165H101N3
• Molecular Weight: 2125.64 g/mol
• Exact Mass: 2123.80
• IUPAC Name: N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5cccc6c7cccc8ccc9ccc4c(c56)c9c87)c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5cccc6c7cccc8ccc9ccc4c(c56)c9c87)cc3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cccc4c3-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)c2)cc1
• InChI: InChI=1S/2C57H35N.C51H31N/c1-3-13-36(14-4-1)40-16-9-19-43(35-40)58(41-17-5-2-6-18-41)42-32-29-37(30-33-42)44-21-11-25-49-54(44)47-20-7-8-24-48(47)57(49)50-26-12-23-46-45-22-10-15-38-27-28-39-31-34-51(57)56(55(46)50)53(39)52(38)45;1-3-13-36(14-4-1)37-29-32-42(33-30-37)58(41-17-5-2-6-18-41)43-19-9-16-40(35-43)44-21-11-25-49-54(44)47-20-7-8-24-48(47)57(49)50-26-12-23-46-45-22-10-15-38-27-28-39-31-34-51(57)56(55(46)50)53(39)52(38)45;1-3-15-35(16-4-1)52(36-17-5-2-6-18-36)37-19-9-14-34(31-37)38-21-11-25-43-48(38)41-20-7-8-24-42(41)51(43)44-26-12-23-40-39-22-10-13-32-27-28-33-29-30-45(51)50(49(40)44)47(33)46(32)39/h2*1-35H;1-31H
• InChIKey: ALMGXMVBWXNRNJ-UHFFFAOYSA-N
• XLogP: 43.99
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2125.64
LogP ≤ 5	43.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline?

The IUPAC name of N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline (CID 167535037) is N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline.

What is the SMILES notation for N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline?

The canonical SMILES for N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5cccc6c7cccc8ccc9ccc4c(c56)c9c87)c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5cccc6c7cccc8ccc9ccc4c(c56)c9c87)cc3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cccc4c3-c3ccccc3C43c4cccc5c6cccc7ccc8ccc3c(c45)c8c76)c2)cc1.

What is the InChIKey of N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline?

The InChIKey is ALMGXMVBWXNRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H35N.C51H31N/c1-3-13-36(14-4-1)40-16-9-19-43(35-40)58(41-17-5-2-6-18-41)42-32-29-37(30-33-42)44-21-11-25-49-54(44)47-20-7-8-24-48(47)57(49)50-26-12-23-46-45-22-10-15-38-27-28-39-31-34-51(57)56(55(46)50)53(39)52(38)45;1-3-13-36(14-4-1)37-29-32-42(33-30-37)58(41-17-5-2-6-18-41)43-19-9-16-40(35-43)44-21-11-25-49-54(44)47-20-7-8-24-48(47)57(49)50-26-12-23-46-45-22-10-15-38-27-28-39-31-34-51(57)56(55(46)50)53(39)52(38)45;1-3-15-35(16-4-1)52(36-17-5-2-6-18-36)37-19-9-14-34(31-37)38-21-11-25-43-48(38)41-20-7-8-24-42(41)51(43)44-26-12-23-40-39-22-10-13-32-27-28-33-29-30-45(51)50(49(40)44)47(33)46(32)39/h2*1-35H;1-31H.

What are the key properties of N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline?

N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline has a molecular weight of 2125.64 g/mol, XLogP of 43.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline;N,3-diphenyl-N-(4-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-ylaniline is sourced from PubChem (CID 167535037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).