N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine

C84H50N2O — CID 135181573

About N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 135181573) has the molecular formula C84H50N2O and a molecular weight of 1103.34 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 135181573
• Molecular Formula: C84H50N2O
• Molecular Weight: 1103.34 g/mol
• Exact Mass: 1102.39
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4cc(-c5ccc6c(c5)[C@@]5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)ccc4c3)cc21
• InChI: InChI=1S/C84H50N2O/c1-7-23-70-60(16-1)61-17-2-8-24-71(61)83(70)72-25-9-3-19-63(72)65-44-42-59(50-77(65)83)85(57-39-34-51(35-40-57)55-38-45-81-69(48-55)67-21-6-14-31-80(67)87-81)58-41-36-53-46-52(32-33-54(53)47-58)56-37-43-64-62-18-4-10-26-73(62)84(76(64)49-56)74-27-11-13-30-79(74)86-78-29-12-5-20-66(78)68-22-15-28-75(84)82(68)86/h1-50H/t84-/m0/s1
• InChIKey: ZZRGHXOERCCCGQ-OSKBWZDDSA-N
• XLogP: 21.66
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.34
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine (CID 135181573) is N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4cc(-c5ccc6c(c5)[C@@]5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)ccc4c3)cc21.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is ZZRGHXOERCCCGQ-OSKBWZDDSA-N. The full InChI is InChI=1S/C84H50N2O/c1-7-23-70-60(16-1)61-17-2-8-24-71(61)83(70)72-25-9-3-19-63(72)65-44-42-59(50-77(65)83)85(57-39-34-51(35-40-57)55-38-45-81-69(48-55)67-21-6-14-31-80(67)87-81)58-41-36-53-46-52(32-33-54(53)47-58)56-37-43-64-62-18-4-10-26-73(62)84(76(64)49-56)74-27-11-13-30-79(74)86-78-29-12-5-20-66(78)68-22-15-28-75(84)82(68)86/h1-50H/t84-/m0/s1.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine?

N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1103.34 g/mol, XLogP of 21.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-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'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 135181573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).