N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine

C62H40N2 — CID 135168297

About N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine

N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine (PubChem CID 135168297) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine
• PubChem CID: 135168297
• Molecular Formula: C62H40N2
• Molecular Weight: 813.02 g/mol
• Exact Mass: 812.32
• IUPAC Name: N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine
• SMILES: c1ccc(N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C62H40N2/c1-4-21-41(22-5-1)61(42-23-6-2-7-24-42)48-31-13-10-28-46(48)58-51(61)34-19-39-56(58)63(43-25-8-3-9-26-43)57-40-20-35-52-59(57)47-29-11-14-32-49(47)62(52)50-33-15-17-38-55(50)64-54-37-16-12-27-44(54)45-30-18-36-53(62)60(45)64/h1-40H
• InChIKey: AJVKOSMHHLXWPL-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.02
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine?

The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine (CID 135168297) is N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine is c1ccc(N(c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine?

The InChIKey is AJVKOSMHHLXWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-4-21-41(22-5-1)61(42-23-6-2-7-24-42)48-31-13-10-28-46(48)58-51(61)34-19-39-56(58)63(43-25-8-3-9-26-43)57-40-20-35-52-59(57)47-29-11-14-32-49(47)62(52)50-33-15-17-38-55(50)64-54-37-16-12-27-44(54)45-30-18-36-53(62)60(45)64/h1-40H.

What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine?

N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine has a molecular weight of 813.02 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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]-4'-amine is sourced from PubChem (CID 135168297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).