9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole

C44H32N4 — CID 155017027

About 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole

9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole (PubChem CID 155017027) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
• PubChem CID: 155017027
• Molecular Formula: C44H32N4
• Molecular Weight: 616.77 g/mol
• Exact Mass: 616.26
• IUPAC Name: 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
• SMILES: C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3N(C3=Nc4ccccc4NC3c3ccccc3)C2C=C1
• InChI: InChI=1S/C44H32N4/c1-3-13-29(14-4-1)43-44(46-38-20-10-9-19-37(38)45-43)48-40-22-12-8-18-34(40)36-28-31(24-26-42(36)48)30-23-25-41-35(27-30)33-17-7-11-21-39(33)47(41)32-15-5-2-6-16-32/h1-28,34,40,43,45H
• InChIKey: UWWVQSUKCGBCDM-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 32.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.77
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?

The IUPAC name of 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole (CID 155017027) is 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole is C1=CC2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3N(C3=Nc4ccccc4NC3c3ccccc3)C2C=C1.

What is the InChIKey of 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?

The InChIKey is UWWVQSUKCGBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4/c1-3-13-29(14-4-1)43-44(46-38-20-10-9-19-37(38)45-43)48-40-22-12-8-18-34(40)36-28-31(24-26-42(36)48)30-23-25-41-35(27-30)33-17-7-11-21-39(33)47(41)32-15-5-2-6-16-32/h1-28,34,40,43,45H.

What are the key properties of 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole?

9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole has a molecular weight of 616.77 g/mol, XLogP of 10.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[9-(3-phenyl-3,4-dihydroquinoxalin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 155017027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).