9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole

C61H45N — CID 166895492

About 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole

9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole (PubChem CID 166895492) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole
• PubChem CID: 166895492
• Molecular Formula: C61H45N
• Molecular Weight: 792.04 g/mol
• Exact Mass: 791.36
• IUPAC Name: 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(/C(=C\c3ccccc3)Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-n5c6ccccc6c6ccccc65)c3-4)cc21
• InChI: InChI=1S/C61H45N/c1-60(2)52-28-15-12-25-47(52)48-36-34-43(40-54(48)60)44(37-41-19-6-3-7-20-41)38-42-33-35-51-55(39-42)61(45-21-8-4-9-22-45,46-23-10-5-11-24-46)53-29-18-32-58(59(51)53)62-56-30-16-13-26-49(56)50-27-14-17-31-57(50)62/h3-37,39-40H,38H2,1-2H3/b44-37-
• InChIKey: XTMCYNWIWICPEU-LWIPBWEKSA-N
• XLogP: 15.24
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.04
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole?

The IUPAC name of 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole (CID 166895492) is 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole.

What is the SMILES notation for 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole?

The canonical SMILES for 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole is CC1(C)c2ccccc2-c2ccc(/C(=C\c3ccccc3)Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-n5c6ccccc6c6ccccc65)c3-4)cc21.

What is the InChIKey of 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole?

The InChIKey is XTMCYNWIWICPEU-LWIPBWEKSA-N. The full InChI is InChI=1S/C61H45N/c1-60(2)52-28-15-12-25-47(52)48-36-34-43(40-54(48)60)44(37-41-19-6-3-7-20-41)38-42-33-35-51-55(39-42)61(45-21-8-4-9-22-45,46-23-10-5-11-24-46)53-29-18-32-58(59(51)53)62-56-30-16-13-26-49(56)50-27-14-17-31-57(50)62/h3-37,39-40H,38H2,1-2H3/b44-37-.

What are the key properties of 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole?

9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole has a molecular weight of 792.04 g/mol, XLogP of 15.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole is sourced from PubChem (CID 166895492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).