3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C82H63N3 — CID 59307006

About 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 59307006) has the molecular formula C82H63N3 and a molecular weight of 1090.43 g/mol. Its IUPAC name is 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 59307006
• Molecular Formula: C82H63N3
• Molecular Weight: 1090.43 g/mol
• Exact Mass: 1089.50
• IUPAC Name: 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(CC)cc6c6cc(CC)ccc65)cc4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C82H63N3/c1-5-52-22-40-75-69(46-52)70-47-53(6-2)23-41-76(70)83(75)62-34-26-56(27-35-62)60-32-44-79-73(50-60)74-51-61(57-28-36-63(37-29-57)84-77-42-24-54(7-3)48-71(77)72-49-55(8-4)25-43-78(72)84)33-45-80(74)85(79)64-38-30-59(31-39-64)82-67-20-14-12-18-65(67)81(58-16-10-9-11-17-58)66-19-13-15-21-68(66)82/h9-51H,5-8H2,1-4H3
• InChIKey: MFWGTZQICOHLNO-UHFFFAOYSA-N
• XLogP: 22.20
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.43
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 59307006) is 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(CC)cc6c6cc(CC)ccc65)cc4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.

What is the InChIKey of 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is MFWGTZQICOHLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H63N3/c1-5-52-22-40-75-69(46-52)70-47-53(6-2)23-41-76(70)83(75)62-34-26-56(27-35-62)60-32-44-79-73(50-60)74-51-61(57-28-36-63(37-29-57)84-77-42-24-54(7-3)48-71(77)72-49-55(8-4)25-43-78(72)84)33-45-80(74)85(79)64-38-30-59(31-39-64)82-67-20-14-12-18-65(67)81(58-16-10-9-11-17-58)66-19-13-15-21-68(66)82/h9-51H,5-8H2,1-4H3.

What are the key properties of 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1090.43 g/mol, XLogP of 22.20, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 59307006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).