3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene

C60H46 — CID 143901236

About 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene

3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene (PubChem CID 143901236) has the molecular formula C60H46 and a molecular weight of 767.03 g/mol. Its IUPAC name is 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene.

Molecular Properties

• Compound Name: 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene
• PubChem CID: 143901236
• Molecular Formula: C60H46
• Molecular Weight: 767.03 g/mol
• Exact Mass: 766.36
• IUPAC Name: 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene
• SMILES: CC1C=CC(c2cccc(-c3ccc4c(c3)-c3ccccc3C4)c2)=CC1C1C=CC(c2ccc(-c3ccccc3)cc2)=CC1c1ccc(-c2ccccc2)c2ccccc12
• InChI: InChI=1S/C60H46/c1-40-23-24-48(45-18-12-19-46(35-45)49-29-30-51-36-50-17-8-9-20-52(50)59(51)38-49)37-58(40)57-32-31-47(43-27-25-42(26-28-43)41-13-4-2-5-14-41)39-60(57)56-34-33-53(44-15-6-3-7-16-44)54-21-10-11-22-55(54)56/h2-35,37-40,57-58,60H,36H2,1H3
• InChIKey: GVRMHPPHXLZMKU-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.03
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene?

The IUPAC name of 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene (CID 143901236) is 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene.

What is the SMILES notation for 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene?

The canonical SMILES for 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene is CC1C=CC(c2cccc(-c3ccc4c(c3)-c3ccccc3C4)c2)=CC1C1C=CC(c2ccc(-c3ccccc3)cc2)=CC1c1ccc(-c2ccccc2)c2ccccc12.

What is the InChIKey of 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene?

The InChIKey is GVRMHPPHXLZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46/c1-40-23-24-48(45-18-12-19-46(35-45)49-29-30-51-36-50-17-8-9-20-52(50)59(51)38-49)37-58(40)57-32-31-47(43-27-25-42(26-28-43)41-13-4-2-5-14-41)39-60(57)56-34-33-53(44-15-6-3-7-16-44)54-21-10-11-22-55(54)56/h2-35,37-40,57-58,60H,36H2,1H3.

What are the key properties of 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene?

3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene has a molecular weight of 767.03 g/mol, XLogP of 15.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-methyl-3-[6-(4-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluorene is sourced from PubChem (CID 143901236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).