bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C172H114N8O — CID 165016258

About bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 165016258) has the molecular formula C172H114N8O and a molecular weight of 2308.86 g/mol. Its IUPAC name is bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
• PubChem CID: 165016258
• Molecular Formula: C172H114N8O
• Molecular Weight: 2308.86 g/mol
• Exact Mass: 2306.91
• IUPAC Name: bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c32)cc1
• InChI: InChI=1S/2C62H41N3.C48H32N2O/c2*1-2-17-45(18-3-1)65-61-31-13-10-26-56(61)57-28-15-27-51(62(57)65)42-32-36-46(37-33-42)63(48-19-14-20-49(41-48)64-59-29-11-8-24-54(59)55-25-9-12-30-60(55)64)47-38-34-43(35-39-47)58-40-44-16-4-5-21-50(44)52-22-6-7-23-53(52)58;1-3-13-33(14-4-1)34-25-29-37(30-26-34)49(45-23-12-21-43-41-18-8-10-24-46(41)51-48(43)45)38-31-27-35(28-32-38)39-19-11-20-42-40-17-7-9-22-44(40)50(47(39)42)36-15-5-2-6-16-36/h2*1-41H;1-32H
• InChIKey: KLUSTZDVNGHZRS-UHFFFAOYSA-N
• XLogP: 47.47
• TPSA: 47.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2308.86
LogP ≤ 5	47.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?

The IUPAC name of bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 165016258) is bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?

The canonical SMILES for bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c32)cc1.

What is the InChIKey of bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?

The InChIKey is KLUSTZDVNGHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H41N3.C48H32N2O/c2*1-2-17-45(18-3-1)65-61-31-13-10-26-56(61)57-28-15-27-51(62(57)65)42-32-36-46(37-33-42)63(48-19-14-20-49(41-48)64-59-29-11-8-24-54(59)55-25-9-12-30-60(55)64)47-38-34-43(35-39-47)58-40-44-16-4-5-21-50(44)52-22-6-7-23-53(52)58;1-3-13-33(14-4-1)34-25-29-37(30-26-34)49(45-23-12-21-43-41-18-8-10-24-46(41)51-48(43)45)38-31-27-35(28-32-38)39-19-11-20-42-40-17-7-9-22-44(40)50(47(39)42)36-15-5-2-6-16-36/h2*1-41H;1-32H.

What are the key properties of bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?

bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 2308.86 g/mol, XLogP of 47.47, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 165016258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).