N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

C214H134N6S — CID 161498713

About N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (PubChem CID 161498713) has the molecular formula C214H134N6S and a molecular weight of 2821.53 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• PubChem CID: 161498713
• Molecular Formula: C214H134N6S
• Molecular Weight: 2821.53 g/mol
• Exact Mass: 2819.04
• IUPAC Name: N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)c4cccc5ccccc45)cc32)cc1
• InChI: InChI=1S/C74H46N2S.C74H46N2.C66H42N2/c1-3-20-49(21-4-1)73(50-22-5-2-6-23-50)58-29-11-7-26-55(58)70-61(73)32-18-37-66(70)75(51-43-40-47(41-44-51)48-42-45-69-57(46-48)53-25-10-16-39-68(53)77-69)67-38-19-33-62-71(67)56-27-8-12-30-59(56)74(62)60-31-13-15-36-65(60)76-64-35-14-9-24-52(64)54-28-17-34-63(74)72(54)76;1-3-21-47(22-4-1)73(48-23-5-2-6-24-48)62-33-14-11-29-56(62)57-44-42-50(46-67(57)73)75(49-41-43-55-53-27-8-7-25-51(53)52-26-9-10-28-54(52)61(55)45-49)70-40-20-36-65-71(70)60-31-12-15-34-63(60)74(65)64-35-16-18-39-69(64)76-68-38-17-13-30-58(68)59-32-19-37-66(74)72(59)76;1-3-22-44(23-4-1)65(45-24-5-2-6-25-45)53-31-12-9-27-48(53)49-41-40-46(42-58(49)65)67(59-38-17-21-43-20-7-8-26-47(43)59)62-39-19-34-56-63(62)52-29-10-13-32-54(52)66(56)55-33-14-16-37-61(55)68-60-36-15-11-28-50(60)51-30-18-35-57(66)64(51)68/h1-46H;1-46H;1-42H
• InChIKey: WGOCZFDFHVIHBK-UHFFFAOYSA-N
• XLogP: 54.53
• TPSA: 24.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2821.53
LogP ≤ 5	54.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (CID 161498713) is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)c4cccc5ccccc45)cc32)cc1.

What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The InChIKey is WGOCZFDFHVIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2S.C74H46N2.C66H42N2/c1-3-20-49(21-4-1)73(50-22-5-2-6-23-50)58-29-11-7-26-55(58)70-61(73)32-18-37-66(70)75(51-43-40-47(41-44-51)48-42-45-69-57(46-48)53-25-10-16-39-68(53)77-69)67-38-19-33-62-71(67)56-27-8-12-30-59(56)74(62)60-31-13-15-36-65(60)76-64-35-14-9-24-52(64)54-28-17-34-63(74)72(54)76;1-3-21-47(22-4-1)73(48-23-5-2-6-24-48)62-33-14-11-29-56(62)57-44-42-50(46-67(57)73)75(49-41-43-55-53-27-8-7-25-51(53)52-26-9-10-28-54(52)61(55)45-49)70-40-20-36-65-71(70)60-31-12-15-34-63(60)74(65)64-35-16-18-39-69(64)76-68-38-17-13-30-58(68)59-32-19-37-66(74)72(59)76;1-3-22-44(23-4-1)65(45-24-5-2-6-25-45)53-31-12-9-27-48(53)49-41-40-46(42-58(49)65)67(59-38-17-21-43-20-7-8-26-47(43)59)62-39-19-34-56-63(62)52-29-10-13-32-54(52)66(56)55-33-14-16-37-61(55)68-60-36-15-11-28-50(60)51-30-18-35-57(66)64(51)68/h1-46H;1-46H;1-42H.

What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine has a molecular weight of 2821.53 g/mol, XLogP of 54.53, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 161498713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).