N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine

C78H48N2O — CID 135168037

About N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine (PubChem CID 135168037) has the molecular formula C78H48N2O and a molecular weight of 1029.26 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine
• PubChem CID: 135168037
• Molecular Formula: C78H48N2O
• Molecular Weight: 1029.26 g/mol
• Exact Mass: 1028.38
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(N(c2ccc(-c4cccc5oc6ccccc6c45)cc2)c2ccc4c(c2)C2(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc2c54)c2ccccc32)cc1
• InChI: InChI=1S/C78H48N2O/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)64-34-14-10-29-61(64)74-59-28-8-7-26-57(59)71(48-68(74)77)79(52-43-41-49(42-44-52)54-31-20-40-73-75(54)62-30-12-18-39-72(62)81-73)53-45-46-56-55-25-9-13-33-63(55)78(67(56)47-53)65-35-15-17-38-70(65)80-69-37-16-11-27-58(69)60-32-19-36-66(78)76(60)80/h1-48H
• InChIKey: HWHVCNZMVHUJGP-UHFFFAOYSA-N
• XLogP: 20.01
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.26
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine (CID 135168037) is N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(N(c2ccc(-c4cccc5oc6ccccc6c45)cc2)c2ccc4c(c2)C2(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc2c54)c2ccccc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine?

The InChIKey is HWHVCNZMVHUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2O/c1-3-21-50(22-4-1)77(51-23-5-2-6-24-51)64-34-14-10-29-61(64)74-59-28-8-7-26-57(59)71(48-68(74)77)79(52-43-41-49(42-44-52)54-31-20-40-73-75(54)62-30-12-18-39-72(62)81-73)53-45-46-56-55-25-9-13-33-63(55)78(67(56)47-53)65-35-15-17-38-70(65)80-69-37-16-11-27-58(69)60-32-19-36-66(78)76(60)80/h1-48H.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine?

N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine has a molecular weight of 1029.26 g/mol, XLogP of 20.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-1-ylphenyl)-N-(7,7-diphenylbenzo[c]fluoren-5-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]-2'-amine is sourced from PubChem (CID 135168037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).