7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene

C60H46 — CID 144614186

About 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene

7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene (PubChem CID 144614186) has the molecular formula C60H46 and a molecular weight of 767.03 g/mol. Its IUPAC name is 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene.

Molecular Properties

• Compound Name: 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene
• PubChem CID: 144614186
• Molecular Formula: C60H46
• Molecular Weight: 767.03 g/mol
• Exact Mass: 766.36
• IUPAC Name: 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene
• SMILES: C=C1c2ccccc2-c2cccc(/C=C(/Cc3cc4c(c5ccccc35)-c3ccc(CC(c5ccccc5)c5cccc6ccccc56)cc3C4(C)C)c3ccccc3)c21
• InChI: InChI=1S/C60H46/c1-39-47-25-12-14-28-50(47)53-31-17-24-44(58(39)53)36-45(41-18-6-4-7-19-41)37-46-38-57-59(52-29-15-13-27-49(46)52)54-33-32-40(35-56(54)60(57,2)3)34-55(43-20-8-5-9-21-43)51-30-16-23-42-22-10-11-26-48(42)51/h4-33,35-36,38,55H,1,34,37H2,2-3H3/b45-36-
• InChIKey: ZFOGXEICXGQXHF-DGCBYWKDSA-N
• XLogP: 15.50
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.03
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene?

The IUPAC name of 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene (CID 144614186) is 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene.

What is the SMILES notation for 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene?

The canonical SMILES for 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene is C=C1c2ccccc2-c2cccc(/C=C(/Cc3cc4c(c5ccccc35)-c3ccc(CC(c5ccccc5)c5cccc6ccccc56)cc3C4(C)C)c3ccccc3)c21.

What is the InChIKey of 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene?

The InChIKey is ZFOGXEICXGQXHF-DGCBYWKDSA-N. The full InChI is InChI=1S/C60H46/c1-39-47-25-12-14-28-50(47)53-31-17-24-44(58(39)53)36-45(41-18-6-4-7-19-41)37-46-38-57-59(52-29-15-13-27-49(46)52)54-33-32-40(35-56(54)60(57,2)3)34-55(43-20-8-5-9-21-43)51-30-16-23-42-22-10-11-26-48(42)51/h4-33,35-36,38,55H,1,34,37H2,2-3H3/b45-36-.

What are the key properties of 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene?

7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene has a molecular weight of 767.03 g/mol, XLogP of 15.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene is sourced from PubChem (CID 144614186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).