4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C64H42N2O — CID 155105896

About 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 155105896) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• PubChem CID: 155105896
• Molecular Formula: C64H42N2O
• Molecular Weight: 855.05 g/mol
• Exact Mass: 854.33
• IUPAC Name: 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
• SMILES: c1ccc(-c2oc3c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)cc5)cc4c4ccccc4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C64H42N2O/c1-5-17-45(18-6-1)61-62-55-27-14-13-25-53(55)57-41-47(33-39-56(57)64(62)67-63(61)46-19-7-2-8-20-46)43-29-35-51(36-30-43)65(49-21-9-3-10-22-49)52-37-31-44(32-38-52)48-34-40-60-58(42-48)54-26-15-16-28-59(54)66(60)50-23-11-4-12-24-50/h1-42H
• InChIKey: BOLKLUBHFPSDGE-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.05
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The IUPAC name of 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 155105896) is 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

What is the SMILES notation for 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The canonical SMILES for 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-c2oc3c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)cc5)cc4c4ccccc4c3c2-c2ccccc2)cc1.

What is the InChIKey of 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

The InChIKey is BOLKLUBHFPSDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-5-17-45(18-6-1)61-62-55-27-14-13-25-53(55)57-41-47(33-39-56(57)64(62)67-63(61)46-19-7-2-8-20-46)43-29-35-51(36-30-43)65(49-21-9-3-10-22-49)52-37-31-44(32-38-52)48-34-40-60-58(42-48)54-26-15-16-28-59(54)66(60)50-23-11-4-12-24-50/h1-42H.

What are the key properties of 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?

4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 155105896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).