3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole

C51H35N — CID 134509745

About 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole

3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole (PubChem CID 134509745) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole
• PubChem CID: 134509745
• Molecular Formula: C51H35N
• Molecular Weight: 661.85 g/mol
• Exact Mass: 661.28
• IUPAC Name: 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)c1
• InChI: InChI=1S/C51H35N/c1-31-20-24-50-48(26-31)49-27-32(2)21-25-51(49)52(50)35-11-7-10-33(28-35)36-16-8-18-42-43-19-9-17-37(47(43)30-46(36)42)34-22-23-44-40-14-4-3-12-38(40)39-13-5-6-15-41(39)45(44)29-34/h3-29H,30H2,1-2H3
• InChIKey: VOSHPHZPEIIAPY-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.85
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole?

The IUPAC name of 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole (CID 134509745) is 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole.

What is the SMILES notation for 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole?

The canonical SMILES for 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)c1.

What is the InChIKey of 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole?

The InChIKey is VOSHPHZPEIIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-31-20-24-50-48(26-31)49-27-32(2)21-25-51(49)52(50)35-11-7-10-33(28-35)36-16-8-18-42-43-19-9-17-37(47(43)30-46(36)42)34-22-23-44-40-14-4-3-12-38(40)39-13-5-6-15-41(39)45(44)29-34/h3-29H,30H2,1-2H3.

What are the key properties of 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole?

3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole has a molecular weight of 661.85 g/mol, XLogP of 13.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole is sourced from PubChem (CID 134509745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).