N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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

C162H110N6 — CID 157186226

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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 157186226) has the molecular formula C162H110N6 and a molecular weight of 2140.70 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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: 157186226
• Molecular Formula: C162H110N6
• Molecular Weight: 2140.70 g/mol
• Exact Mass: 2138.88
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1
• InChI: InChI=1S/C58H40N2.C55H38N2.C49H32N2/c1-57(2)48-21-9-6-17-42(48)44-33-31-41(36-53(44)57)59(39-29-27-38(28-30-39)37-15-4-3-5-16-37)40-32-34-50-47(35-40)43-18-7-10-22-49(43)58(50)51-23-11-13-26-55(51)60-54-25-12-8-19-45(54)46-20-14-24-52(58)56(46)60;1-4-17-39(18-5-1)41-31-35-44(36-32-41)56(45-37-33-42(34-38-45)40-19-6-2-7-20-40)53-30-16-27-50-54(53)46-23-10-11-24-47(46)55(50)48-25-12-14-28-51(48)57(43-21-8-3-9-22-43)52-29-15-13-26-49(52)55;1-3-14-33(15-4-1)34-26-28-36(29-27-34)50(35-16-5-2-6-17-35)37-30-31-43-41(32-37)38-18-7-9-21-42(38)49(43)44-22-10-12-25-47(44)51-46-24-11-8-19-39(46)40-20-13-23-45(49)48(40)51/h3-36H,1-2H3;1-38H;1-32H
• InChIKey: APDOEVXWJMLEKM-UHFFFAOYSA-N
• XLogP: 42.14
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2140.70
LogP ≤ 5	42.14
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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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 157186226) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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 APDOEVXWJMLEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2.C55H38N2.C49H32N2/c1-57(2)48-21-9-6-17-42(48)44-33-31-41(36-53(44)57)59(39-29-27-38(28-30-39)37-15-4-3-5-16-37)40-32-34-50-47(35-40)43-18-7-10-22-49(43)58(50)51-23-11-13-26-55(51)60-54-25-12-8-19-45(54)46-20-14-24-52(58)56(46)60;1-4-17-39(18-5-1)41-31-35-44(36-32-41)56(45-37-33-42(34-38-45)40-19-6-2-7-20-40)53-30-16-27-50-54(53)46-23-10-11-24-47(46)55(50)48-25-12-14-28-51(48)57(43-21-8-3-9-22-43)52-29-15-13-26-49(52)55;1-3-14-33(15-4-1)34-26-28-36(29-27-34)50(35-16-5-2-6-17-35)37-30-31-43-41(32-37)38-18-7-9-21-42(38)49(43)44-22-10-12-25-47(44)51-46-24-11-8-19-39(46)40-20-13-23-45(49)48(40)51/h3-36H,1-2H3;1-38H;1-32H.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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 2140.70 g/mol, XLogP of 42.14, 14 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-(4-phenylphenyl)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;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)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 157186226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).