9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole

C65H54N6O — CID 20710134

About 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole

9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole (PubChem CID 20710134) has the molecular formula C65H54N6O and a molecular weight of 935.19 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole
• PubChem CID: 20710134
• Molecular Formula: C65H54N6O
• Molecular Weight: 935.19 g/mol
• Exact Mass: 934.44
• IUPAC Name: 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole
• SMILES: C/C=C/c1cc(-n2c3ccccc3c3ccccc32)c(/C=C/c2ccc3nc(-c4cc(OCCCCCC)c(-c5cnc6cc(C)ccc6n5)cc4C)cnc3c2)cc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C65H54N6O/c1-5-7-8-17-33-72-65-39-51(43(4)35-52(65)58-41-66-55-34-42(3)27-31-53(55)69-58)57-40-67-56-36-44(29-32-54(56)68-57)28-30-46-38-63(70-59-23-13-9-19-47(59)48-20-10-14-24-60(48)70)45(18-6-2)37-64(46)71-61-25-15-11-21-49(61)50-22-12-16-26-62(50)71/h6,9-16,18-32,34-41H,5,7-8,17,33H2,1-4H3/b18-6+,30-28+
• InChIKey: USIPAHACMBVEQN-OURVOWFFSA-N
• XLogP: 16.88
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.19
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole?

The IUPAC name of 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole (CID 20710134) is 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole.

What is the SMILES notation for 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole?

The canonical SMILES for 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole is C/C=C/c1cc(-n2c3ccccc3c3ccccc32)c(/C=C/c2ccc3nc(-c4cc(OCCCCCC)c(-c5cnc6cc(C)ccc6n5)cc4C)cnc3c2)cc1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole?

The InChIKey is USIPAHACMBVEQN-OURVOWFFSA-N. The full InChI is InChI=1S/C65H54N6O/c1-5-7-8-17-33-72-65-39-51(43(4)35-52(65)58-41-66-55-34-42(3)27-31-53(55)69-58)57-40-67-56-36-44(29-32-54(56)68-57)28-30-46-38-63(70-59-23-13-9-19-47(59)48-20-10-14-24-60(48)70)45(18-6-2)37-64(46)71-61-25-15-11-21-49(61)50-22-12-16-26-62(50)71/h6,9-16,18-32,34-41H,5,7-8,17,33H2,1-4H3/b18-6+,30-28+.

What are the key properties of 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole?

9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole has a molecular weight of 935.19 g/mol, XLogP of 16.88, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-2-[(E)-2-[2-[5-hexoxy-2-methyl-4-(6-methylquinoxalin-2-yl)phenyl]quinoxalin-6-yl]ethenyl]-5-[(E)-prop-1-enyl]phenyl]carbazole is sourced from PubChem (CID 20710134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).