N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine

C148H93N5O — CID 159900742

About N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine

N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine (PubChem CID 159900742) has the molecular formula C148H93N5O and a molecular weight of 1957.41 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine
• PubChem CID: 159900742
• Molecular Formula: C148H93N5O
• Molecular Weight: 1957.41 g/mol
• Exact Mass: 1955.74
• IUPAC Name: N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine
• SMILES: c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5-c5ccccc5-c5cccc6ccccc56)c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)ccc32)cc1
• InChI: InChI=1S/C77H49N3.C71H44N2O/c1-2-23-53(24-3-1)78-70-39-15-11-30-61(70)64-49-52(45-48-72(64)78)50-43-46-54(47-44-50)79(69-38-14-9-28-59(69)58-27-7-6-26-57(58)56-32-18-22-51-21-4-5-25-55(51)56)74-42-20-36-67-75(74)63-31-8-12-34-65(63)77(67)66-35-13-17-41-73(66)80-71-40-16-10-29-60(71)62-33-19-37-68(77)76(62)80;1-2-20-49-46(18-1)19-15-27-50(49)51-21-3-4-22-52(51)53-23-6-11-33-63(53)72(48-41-38-45(39-42-48)47-40-43-56-55-25-8-14-37-67(55)74-68(56)44-47)66-36-17-31-61-69(66)58-26-5-9-29-59(58)71(61)60-30-10-13-35-65(60)73-64-34-12-7-24-54(64)57-28-16-32-62(71)70(57)73/h1-49H;1-44H
• InChIKey: NVXPUSZTVRQBHF-UHFFFAOYSA-N
• XLogP: 39.16
• TPSA: 34.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1957.41
LogP ≤ 5	39.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine?

The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine (CID 159900742) is N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine.

What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine?

The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine is c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccccc5-c5ccccc5-c5cccc6ccccc56)c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)ccc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine?

The InChIKey is NVXPUSZTVRQBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N3.C71H44N2O/c1-2-23-53(24-3-1)78-70-39-15-11-30-61(70)64-49-52(45-48-72(64)78)50-43-46-54(47-44-50)79(69-38-14-9-28-59(69)58-27-7-6-26-57(58)56-32-18-22-51-21-4-5-25-55(51)56)74-42-20-36-67-75(74)63-31-8-12-34-65(63)77(67)66-35-13-17-41-73(66)80-71-40-16-10-29-60(71)62-33-19-37-68(77)76(62)80;1-2-20-49-46(18-1)19-15-27-50(49)51-21-3-4-22-52(51)53-23-6-11-33-63(53)72(48-41-38-45(39-42-48)47-40-43-56-55-25-8-14-37-67(55)74-68(56)44-47)66-36-17-31-61-69(66)58-26-5-9-29-59(58)71(61)60-30-10-13-35-65(60)73-64-34-12-7-24-54(64)57-28-16-32-62(71)70(57)73/h1-49H;1-44H.

What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine?

N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine has a molecular weight of 1957.41 g/mol, XLogP of 39.16, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]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'-amine is sourced from PubChem (CID 159900742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).