9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole

C64H40N2 — CID 168729209

About 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole

9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole (PubChem CID 168729209) has the molecular formula C64H40N2 and a molecular weight of 837.04 g/mol. Its IUPAC name is 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
• PubChem CID: 168729209
• Molecular Formula: C64H40N2
• Molecular Weight: 837.04 g/mol
• Exact Mass: 836.32
• IUPAC Name: 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc43)c3ccccc23)cc1
• InChI: InChI=1S/C64H40N2/c1-3-19-41(20-4-1)61-47-25-7-11-29-51(47)63(52-30-12-8-26-48(52)61)65-57-33-17-15-23-45(57)55-39-43(35-37-59(55)65)44-36-38-60-56(40-44)46-24-16-18-34-58(46)66(60)64-53-31-13-9-27-49(53)62(42-21-5-2-6-22-42)50-28-10-14-32-54(50)64/h1-40H
• InChIKey: CEBZNIANUHEGQM-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.04
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?

The IUPAC name of 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole (CID 168729209) is 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole.

What is the SMILES notation for 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?

The canonical SMILES for 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole is c1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc43)c3ccccc23)cc1.

What is the InChIKey of 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?

The InChIKey is CEBZNIANUHEGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2/c1-3-19-41(20-4-1)61-47-25-7-11-29-51(47)63(52-30-12-8-26-48(52)61)65-57-33-17-15-23-45(57)55-39-43(35-37-59(55)65)44-36-38-60-56(40-44)46-24-16-18-34-58(46)66(60)64-53-31-13-9-27-49(53)62(42-21-5-2-6-22-42)50-28-10-14-32-54(50)64/h1-40H.

What are the key properties of 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?

9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole has a molecular weight of 837.04 g/mol, XLogP of 17.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 168729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).