9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine

C78H50N2 — CID 135168692

About 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine

9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 135168692) has the molecular formula C78H50N2 and a molecular weight of 1015.27 g/mol. Its IUPAC name is 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 135168692
• Molecular Formula: C78H50N2
• Molecular Weight: 1015.27 g/mol
• Exact Mass: 1014.40
• IUPAC Name: 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3c2)cc1
• InChI: InChI=1S/C78H50N2/c1-4-21-51(22-5-1)60-27-12-17-36-73(60)79(59-44-46-64-61-28-10-14-32-67(61)77(72(64)50-59,56-23-6-2-7-24-56)57-25-8-3-9-26-57)58-43-41-53-47-52(39-40-54(53)48-58)55-42-45-63-62-29-11-15-33-68(62)78(71(63)49-55)69-34-16-19-38-75(69)80-74-37-18-13-30-65(74)66-31-20-35-70(78)76(66)80/h1-50H
• InChIKey: XTVFDMAWWFXOKP-UHFFFAOYSA-N
• XLogP: 19.78
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.27
LogP ≤ 5	19.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine?

The IUPAC name of 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine (CID 135168692) is 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine?

The canonical SMILES for 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3c2)cc1.

What is the InChIKey of 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine?

The InChIKey is XTVFDMAWWFXOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N2/c1-4-21-51(22-5-1)60-27-12-17-36-73(60)79(59-44-46-64-61-28-10-14-32-67(61)77(72(64)50-59,56-23-6-2-7-24-56)57-25-8-3-9-26-57)58-43-41-53-47-52(39-40-54(53)48-58)55-42-45-63-62-29-11-15-33-68(62)78(71(63)49-55)69-34-16-19-38-75(69)80-74-37-18-13-30-65(74)66-31-20-35-70(78)76(66)80/h1-50H.

What are the key properties of 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine?

9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 1015.27 g/mol, XLogP of 19.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-(2-phenylphenyl)-N-(6-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]-2'-ylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 135168692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).