N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine

C71H48N2 — CID 135168500

About N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine (PubChem CID 135168500) has the molecular formula C71H48N2 and a molecular weight of 929.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine
• PubChem CID: 135168500
• Molecular Formula: C71H48N2
• Molecular Weight: 929.18 g/mol
• Exact Mass: 928.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C71H48N2/c1-69(2)56-30-13-9-25-49(56)51-41-39-48(44-63(51)69)72(66-38-20-34-61-67(66)54-28-11-15-32-58(54)70(61,45-21-5-3-6-22-45)46-23-7-4-8-24-46)47-40-42-59-55(43-47)50-26-10-14-31-57(50)71(59)60-33-16-18-37-65(60)73-64-36-17-12-27-52(64)53-29-19-35-62(71)68(53)73/h3-44H,1-2H3
• InChIKey: DSFUTIXIGFCNJP-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.18
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine (CID 135168500) is N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine?

The InChIKey is DSFUTIXIGFCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N2/c1-69(2)56-30-13-9-25-49(56)51-41-39-48(44-63(51)69)72(66-38-20-34-61-67(66)54-28-11-15-32-58(54)70(61,45-21-5-3-6-22-45)46-23-7-4-8-24-46)47-40-42-59-55(43-47)50-26-10-14-31-57(50)71(59)60-33-16-18-37-65(60)73-64-36-17-12-27-52(64)53-29-19-35-62(71)68(53)73/h3-44H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine?

N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine has a molecular weight of 929.18 g/mol, XLogP of 17.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-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]-3'-amine is sourced from PubChem (CID 135168500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).