N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine

C70H48N2 — CID 135167446

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine (PubChem CID 135167446) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine
• PubChem CID: 135167446
• Molecular Formula: C70H48N2
• Molecular Weight: 917.17 g/mol
• Exact Mass: 916.38
• IUPAC Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)C54c5ccccc5-c5ccccc54)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc21
• InChI: InChI=1S/C70H48N2/c1-69(2)59-25-11-6-20-53(59)56-41-37-49(43-64(56)69)47-35-38-50(39-36-47)71(65-29-14-9-19-52(65)48-33-31-46(32-34-48)45-17-4-3-5-18-45)51-40-42-62-67(44-51)72-66-30-15-10-23-57(66)58-24-16-28-63(68(58)72)70(62)60-26-12-7-21-54(60)55-22-8-13-27-61(55)70/h3-44H,1-2H3
• InChIKey: BRNMTMRUSWEWAX-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.17
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine (CID 135167446) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)C54c5ccccc5-c5ccccc54)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine?

The InChIKey is BRNMTMRUSWEWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-69(2)59-25-11-6-20-53(59)56-41-37-49(43-64(56)69)47-35-38-50(39-36-47)71(65-29-14-9-19-52(65)48-33-31-46(32-34-48)45-17-4-3-5-18-45)51-40-42-62-67(44-51)72-66-30-15-10-23-57(66)58-24-16-28-63(68(58)72)70(62)60-26-12-7-21-54(60)55-22-8-13-27-61(55)70/h3-44H,1-2H3.

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine?

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine has a molecular weight of 917.17 g/mol, XLogP of 18.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine is sourced from PubChem (CID 135167446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).