9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane

C57H50 — CID 144926033

About 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane

9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane (PubChem CID 144926033) has the molecular formula C57H50 and a molecular weight of 735.03 g/mol. Its IUPAC name is 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane.

Molecular Properties

• Compound Name: 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane
• PubChem CID: 144926033
• Molecular Formula: C57H50
• Molecular Weight: 735.03 g/mol
• Exact Mass: 734.39
• IUPAC Name: 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane
• SMILES: CC.CC/C=C\c1ccc(-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc35)C=C(c3ccc5ccccc5c3)CC4)cc2)cc1
• InChI: InChI=1S/C55H44.C2H6/c1-4-5-12-36-19-21-38(22-20-36)39-23-26-40(27-24-39)53-47-16-8-9-17-48(47)54(44-30-31-46-45-15-10-11-18-51(45)55(2,3)52(46)35-44)50-34-43(29-32-49(50)53)42-28-25-37-13-6-7-14-41(37)33-42;1-2/h5-28,30-31,33-35H,4,29,32H2,1-3H3;1-2H3/b12-5-
• InChIKey: HWFWEZAPDUVCOA-UHPXVVQNSA-N
• XLogP: 16.24
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.03
LogP ≤ 5	16.24
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 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane?

The IUPAC name of 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane (CID 144926033) is 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane.

What is the SMILES notation for 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane?

The canonical SMILES for 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane is CC.CC/C=C\c1ccc(-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc35)C=C(c3ccc5ccccc5c3)CC4)cc2)cc1.

What is the InChIKey of 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane?

The InChIKey is HWFWEZAPDUVCOA-UHPXVVQNSA-N. The full InChI is InChI=1S/C55H44.C2H6/c1-4-5-12-36-19-21-38(22-20-36)39-23-26-40(27-24-39)53-47-16-8-9-17-48(47)54(44-30-31-46-45-15-10-11-18-51(45)55(2,3)52(46)35-44)50-34-43(29-32-49(50)53)42-28-25-37-13-6-7-14-41(37)33-42;1-2/h5-28,30-31,33-35H,4,29,32H2,1-3H3;1-2H3/b12-5-;.

What are the key properties of 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane?

9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane has a molecular weight of 735.03 g/mol, XLogP of 16.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane is sourced from PubChem (CID 144926033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).