N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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

C78H46N2O — CID 135168354

About N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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 135168354) has the molecular formula C78H46N2O and a molecular weight of 1027.24 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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: 135168354
• Molecular Formula: C78H46N2O
• Molecular Weight: 1027.24 g/mol
• Exact Mass: 1026.36
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4oc5ccccc5c34)cc1)c1cccc3c1-c1ccccc1C31c3ccccc3-n3c4ccccc4c4cccc1c43)c1ccccc21
• InChI: InChI=1S/C78H46N2O/c1-2-24-54-52(22-1)70(46-66-73(54)56-25-5-11-32-61(56)77(66)59-30-9-3-20-50(59)51-21-4-10-31-60(51)77)79(48-44-42-47(43-45-48)49-28-18-41-72-74(49)58-27-8-16-40-71(58)81-72)69-39-19-35-64-75(69)57-26-6-12-33-62(57)78(64)63-34-13-15-38-68(63)80-67-37-14-7-23-53(67)55-29-17-36-65(78)76(55)80/h1-46H
• InChIKey: OTZOLMCMBQNBMT-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.24
LogP ≤ 5	19.99
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-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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 135168354) is N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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 c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(N(c1ccc(-c3cccc4oc5ccccc5c34)cc1)c1cccc3c1-c1ccccc1C31c3ccccc3-n3c4ccccc4c4cccc1c43)c1ccccc21.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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 OTZOLMCMBQNBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N2O/c1-2-24-54-52(22-1)70(46-66-73(54)56-25-5-11-32-61(56)77(66)59-30-9-3-20-50(59)51-21-4-10-31-60(51)77)79(48-44-42-47(43-45-48)49-28-18-41-72-74(49)58-27-8-16-40-71(58)81-72)69-39-19-35-64-75(69)57-26-6-12-33-62(57)78(64)63-34-13-15-38-68(63)80-67-37-14-7-23-53(67)55-29-17-36-65(78)76(55)80/h1-46H.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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 1027.24 g/mol, XLogP of 19.99, 4 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-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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 135168354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).