N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine

C78H50N2 — CID 135168755

About N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine

N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine (PubChem CID 135168755) has the molecular formula C78H50N2 and a molecular weight of 1015.27 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine
• PubChem CID: 135168755
• Molecular Formula: C78H50N2
• Molecular Weight: 1015.27 g/mol
• Exact Mass: 1014.40
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc32)cc1
• InChI: InChI=1S/C78H50N2/c1-3-22-54(23-4-1)77(55-24-5-2-6-25-55)67-33-12-9-27-62(67)63-49-48-58(50-72(63)77)79(56-44-40-52(41-45-56)60-30-17-21-51-20-7-8-26-59(51)60)57-46-42-53(43-47-57)61-31-18-36-70-75(61)66-29-10-13-34-68(66)78(70)69-35-14-16-39-74(69)80-73-38-15-11-28-64(73)65-32-19-37-71(78)76(65)80/h1-50H
• InChIKey: MJJQRQFGOVRNRC-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 N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine (CID 135168755) is N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc32)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

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

What are the key properties of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine?

N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)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 N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-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]-4'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 135168755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).