N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline

C136H88N4O2 — CID 157430442

About N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline (PubChem CID 157430442) has the molecular formula C136H88N4O2 and a molecular weight of 1810.23 g/mol. Its IUPAC name is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline
• PubChem CID: 157430442
• Molecular Formula: C136H88N4O2
• Molecular Weight: 1810.23 g/mol
• Exact Mass: 1808.69
• IUPAC Name: N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline
• SMILES: c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)c1.c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1
• InChI: InChI=1S/2C68H44N2O/c1-2-24-53-48(18-1)44-63(57-27-6-5-25-55(53)57)47-20-16-22-51(43-47)69(50-21-15-19-46(42-50)54-32-17-33-62-61-31-10-14-37-67(61)71-68(54)62)49-40-38-45(39-41-49)52-23-3-4-26-56(52)58-28-7-11-34-64(58)70-65-35-12-8-29-59(65)60-30-9-13-36-66(60)70;1-2-21-53-48(17-1)44-63(57-24-6-5-22-55(53)57)46-37-41-50(42-38-46)69(51-19-15-18-47(43-51)54-29-16-30-62-61-28-10-14-34-67(61)71-68(54)62)49-39-35-45(36-40-49)52-20-3-4-23-56(52)58-25-7-11-31-64(58)70-65-32-12-8-26-59(65)60-27-9-13-33-66(60)70/h2*1-44H
• InChIKey: BQLSGJQLGCRZIO-UHFFFAOYSA-N
• XLogP: 38.25
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1810.23
LogP ≤ 5	38.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline?

The IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline (CID 157430442) is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline.

What is the SMILES notation for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline?

The canonical SMILES for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline is c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2ccc(-c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4c3oc3ccccc34)c2)c1.c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1.

What is the InChIKey of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline?

The InChIKey is BQLSGJQLGCRZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H44N2O/c1-2-24-53-48(18-1)44-63(57-27-6-5-25-55(53)57)47-20-16-22-51(43-47)69(50-21-15-19-46(42-50)54-32-17-33-62-61-31-10-14-37-67(61)71-68(54)62)49-40-38-45(39-41-49)52-23-3-4-26-56(52)58-28-7-11-34-64(58)70-65-35-12-8-29-59(65)60-30-9-13-36-66(60)70;1-2-21-53-48(17-1)44-63(57-24-6-5-22-55(53)57)46-37-41-50(42-38-46)69(51-19-15-18-47(43-51)54-29-16-30-62-61-28-10-14-34-67(61)71-68(54)62)49-39-35-45(36-40-49)52-20-3-4-23-56(52)58-25-7-11-31-64(58)70-65-32-12-8-26-59(65)60-27-9-13-33-66(60)70/h2*1-44H.

What are the key properties of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline?

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline has a molecular weight of 1810.23 g/mol, XLogP of 38.25, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 157430442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).