9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole

C74H65N — CID 167027158

About 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole

9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole (PubChem CID 167027158) has the molecular formula C74H65N and a molecular weight of 968.34 g/mol. Its IUPAC name is 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole
• PubChem CID: 167027158
• Molecular Formula: C74H65N
• Molecular Weight: 968.34 g/mol
• Exact Mass: 967.51
• IUPAC Name: 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole
• SMILES: CCCCCCC1(C)c2cc(-c3ccc(CCCC4Cc5ccc(-c6cccc(-c7cccc(C)c7)c6)cc5-c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
• InChI: InChI=1S/C74H65N/c1-4-5-6-13-43-74(3)70-48-58(37-41-65(70)66-42-38-59(49-71(66)74)53-35-39-62(40-36-53)75-72-27-11-9-25-67(72)68-26-10-12-28-73(68)75)52-31-29-51(30-32-52)18-15-22-60-46-61-34-33-57(47-69(61)64-24-8-7-23-63(60)64)56-21-16-20-55(45-56)54-19-14-17-50(2)44-54/h7-12,14,16-17,19-21,23-42,44-45,47-49,60H,4-6,13,15,18,22,43,46H2,1-3H3
• InChIKey: YOCJMHYBPBSONK-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.34
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole (CID 167027158) is 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole is CCCCCCC1(C)c2cc(-c3ccc(CCCC4Cc5ccc(-c6cccc(-c7cccc(C)c7)c6)cc5-c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.

What is the InChIKey of 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole?

The InChIKey is YOCJMHYBPBSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H65N/c1-4-5-6-13-43-74(3)70-48-58(37-41-65(70)66-42-38-59(49-71(66)74)53-35-39-62(40-36-53)75-72-27-11-9-25-67(72)68-26-10-12-28-73(68)75)52-31-29-51(30-32-52)18-15-22-60-46-61-34-33-57(47-69(61)64-24-8-7-23-63(60)64)56-21-16-20-55(45-56)54-19-14-17-50(2)44-54/h7-12,14,16-17,19-21,23-42,44-45,47-49,60H,4-6,13,15,18,22,43,46H2,1-3H3.

What are the key properties of 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole?

9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole has a molecular weight of 968.34 g/mol, XLogP of 20.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[9-hexyl-9-methyl-7-[4-[3-[3-[3-(3-methylphenyl)phenyl]-9,10-dihydrophenanthren-9-yl]propyl]phenyl]fluoren-2-yl]phenyl]carbazole is sourced from PubChem (CID 167027158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).