N-[2-(2-phenylphenyl)phenyl]-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]-10-amine

C74H46N2 — CID 135167339

About N-[2-(2-phenylphenyl)phenyl]-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]-10-amine

N-[2-(2-phenylphenyl)phenyl]-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]-10-amine (PubChem CID 135167339) has the molecular formula C74H46N2 and a molecular weight of 963.20 g/mol. Its IUPAC name is N-[2-(2-phenylphenyl)phenyl]-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]-10-amine.

Molecular Properties

• Compound Name: N-[2-(2-phenylphenyl)phenyl]-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]-10-amine
• PubChem CID: 135167339
• Molecular Formula: C74H46N2
• Molecular Weight: 963.20 g/mol
• Exact Mass: 962.37
• IUPAC Name: N-[2-(2-phenylphenyl)phenyl]-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]-10-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc3c4c(c2)c2ccccc2n4-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C74H46N2/c1-2-22-47(23-3-1)50-24-4-5-25-51(50)58-31-11-19-39-69(58)75(48-42-43-57-56-30-10-15-35-63(56)73(67(57)45-48)61-33-13-6-26-52(61)53-27-7-14-34-62(53)73)49-44-60-59-32-12-20-40-70(59)76-71-41-21-18-38-66(71)74(68(46-49)72(60)76)64-36-16-8-28-54(64)55-29-9-17-37-65(55)74/h1-46H
• InChIKey: RDPKJZMBPWJWNO-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.20
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenyl)phenyl]-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]-10-amine?

The IUPAC name of N-[2-(2-phenylphenyl)phenyl]-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]-10-amine (CID 135167339) is N-[2-(2-phenylphenyl)phenyl]-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]-10-amine.

What is the SMILES notation for N-[2-(2-phenylphenyl)phenyl]-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]-10-amine?

The canonical SMILES for N-[2-(2-phenylphenyl)phenyl]-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]-10-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc3c4c(c2)c2ccccc2n4-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-[2-(2-phenylphenyl)phenyl]-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]-10-amine?

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

What are the key properties of N-[2-(2-phenylphenyl)phenyl]-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]-10-amine?

N-[2-(2-phenylphenyl)phenyl]-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]-10-amine has a molecular weight of 963.20 g/mol, XLogP of 18.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-phenylphenyl)phenyl]-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]-10-amine is sourced from PubChem (CID 135167339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).