3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole

C60H44N2 — CID 59306914

About 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole

3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 59306914) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
• PubChem CID: 59306914
• Molecular Formula: C60H44N2
• Molecular Weight: 793.03 g/mol
• Exact Mass: 792.35
• IUPAC Name: 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
• SMILES: CC(C)Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C60H44N2/c1-39(2)35-40-25-32-56-52(36-40)54-38-44(29-34-58(54)61(56)45-17-7-4-8-18-45)43-28-33-57-53(37-43)47-19-13-14-24-55(47)62(57)46-30-26-42(27-31-46)60-50-22-11-9-20-48(50)59(41-15-5-3-6-16-41)49-21-10-12-23-51(49)60/h3-34,36-39H,35H2,1-2H3
• InChIKey: IRWPTIJOBBIEKO-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.03
LogP ≤ 5	16.39
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 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?

The IUPAC name of 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole (CID 59306914) is 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole.

What is the SMILES notation for 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?

The canonical SMILES for 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole is CC(C)Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.

What is the InChIKey of 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?

The InChIKey is IRWPTIJOBBIEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-39(2)35-40-25-32-56-52(36-40)54-38-44(29-34-58(54)61(56)45-17-7-4-8-18-45)43-28-33-57-53(37-43)47-19-13-14-24-55(47)62(57)46-30-26-42(27-31-46)60-50-22-11-9-20-48(50)59(41-15-5-3-6-16-41)49-21-10-12-23-51(49)60/h3-34,36-39H,35H2,1-2H3.

What are the key properties of 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole?

3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 793.03 g/mol, XLogP of 16.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 59306914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).