N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine

C₂₁₇H₁₄₀N₆ — CID 158004022

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine (PubChem CID 158004022) has the molecular formula C₂₁₇H₁₄₀N₆ and a molecular weight of 2831.55 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine
• PubChem CID: 158004022
• Molecular Formula: C₂₁₇H₁₄₀N₆
• Molecular Weight: 2831.55 g/mol
• Exact Mass: 2829.11
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21
• InChI: InChI=1S/C74H48N2.C72H44N2.C71H48N2/c1-4-19-49(20-5-1)50-35-37-51(38-36-50)52-39-41-55(42-40-52)75(57-43-45-60-58-25-10-13-29-64(58)73(69(60)48-57,53-21-6-2-7-22-53)54-23-8-3-9-24-54)56-44-46-66-63(47-56)59-26-11-14-30-65(59)74(66)67-31-15-17-34-71(67)76-70-33-16-12-27-61(70)62-28-18-32-68(74)72(62)76;1-2-19-50-45(17-1)18-15-25-51(50)46-35-37-47(38-36-46)73(49-39-41-56-54-22-5-10-29-62(54)71(67(56)44-49)60-27-8-3-20-52(60)53-21-4-9-28-61(53)71)48-40-42-64-59(43-48)55-23-6-11-30-63(55)72(64)65-31-12-14-34-69(65)74-68-33-13-7-24-57(68)58-26-16-32-66(72)70(58)74;1-69(2)58-29-13-9-24-50(58)53-39-36-48(43-64(53)69)72(49-37-40-54-51-25-10-14-30-59(51)70(65(54)44-49,45-20-5-3-6-21-45)46-22-7-4-8-23-46)47-38-41-61-57(42-47)52-26-11-15-31-60(52)71(61)62-32-16-18-35-67(62)73-66-34-17-12-27-55(66)56-28-19-33-63(71)68(56)73/h1-48H;1-44H;3-44H,1-2H3
• InChIKey: FEBMHQRPZXSAJP-UHFFFAOYSA-N
• XLogP: 54.32
• TPSA: 24.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2831.55
LogP ≤ 5	54.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine (CID 158004022) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine?

The InChIKey is FEBMHQRPZXSAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2.C72H44N2.C71H48N2/c1-4-19-49(20-5-1)50-35-37-51(38-36-50)52-39-41-55(42-40-52)75(57-43-45-60-58-25-10-13-29-64(58)73(69(60)48-57,53-21-6-2-7-22-53)54-23-8-3-9-24-54)56-44-46-66-63(47-56)59-26-11-14-30-65(59)74(66)67-31-15-17-34-71(67)76-70-33-16-12-27-61(70)62-28-18-32-68(74)72(62)76;1-2-19-50-45(17-1)18-15-25-51(50)46-35-37-47(38-36-46)73(49-39-41-56-54-22-5-10-29-62(54)71(67(56)44-49)60-27-8-3-20-52(60)53-21-4-9-28-61(53)71)48-40-42-64-59(43-48)55-23-6-11-30-63(55)72(64)65-31-12-14-34-69(65)74-68-33-13-7-24-57(68)58-26-16-32-66(72)70(58)74;1-69(2)58-29-13-9-24-50(58)53-39-36-48(43-64(53)69)72(49-37-40-54-51-25-10-14-30-59(51)70(65(54)44-49,45-20-5-3-6-21-45)46-22-7-4-8-23-46)47-38-41-61-57(42-47)52-26-11-15-31-60(52)71(61)62-32-16-18-35-67(62)73-66-34-17-12-27-55(66)56-28-19-33-63(71)68(56)73/h1-48H;1-44H;3-44H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine has a molecular weight of 2831.55 g/mol, XLogP of 54.32, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-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]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]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]-3'-amine;N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine is sourced from PubChem (CID 158004022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158004022 — identifiers, structure, computed properties (public domain)

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