4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine

C50H49NO4 — CID 170318617

About 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine

4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine (PubChem CID 170318617) has the molecular formula C50H49NO4 and a molecular weight of 727.95 g/mol. Its IUPAC name is 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine
• PubChem CID: 170318617
• Molecular Formula: C50H49NO4
• Molecular Weight: 727.95 g/mol
• Exact Mass: 727.37
• IUPAC Name: 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine
• SMILES: CCC1(CC)c2ccccc2-c2c1c(/C=C\C(C)(c1ccc(OC)cc1)c1ccc3oc4ccccc4c3c1)c(C)c1cc(OC)c(N3CCOCC3)cc21
• InChI: InChI=1S/C50H49NO4/c1-7-50(8-2)42-15-11-9-14-38(42)47-41-30-43(51-25-27-54-28-26-51)46(53-6)31-39(41)32(3)36(48(47)50)23-24-49(4,33-17-20-35(52-5)21-18-33)34-19-22-45-40(29-34)37-13-10-12-16-44(37)55-45/h9-24,29-31H,7-8,25-28H2,1-6H3/b24-23-
• InChIKey: RSBFIRCLXHXHQN-VHXPQNKSSA-N
• XLogP: 12.01
• TPSA: 44.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.95
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine?

The IUPAC name of 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine (CID 170318617) is 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine.

What is the SMILES notation for 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine?

The canonical SMILES for 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine is CCC1(CC)c2ccccc2-c2c1c(/C=C\C(C)(c1ccc(OC)cc1)c1ccc3oc4ccccc4c3c1)c(C)c1cc(OC)c(N3CCOCC3)cc21.

What is the InChIKey of 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine?

The InChIKey is RSBFIRCLXHXHQN-VHXPQNKSSA-N. The full InChI is InChI=1S/C50H49NO4/c1-7-50(8-2)42-15-11-9-14-38(42)47-41-30-43(51-25-27-54-28-26-51)46(53-6)31-39(41)32(3)36(48(47)50)23-24-49(4,33-17-20-35(52-5)21-18-33)34-19-22-45-40(29-34)37-13-10-12-16-44(37)55-45/h9-24,29-31H,7-8,25-28H2,1-6H3/b24-23-.

What are the key properties of 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine?

4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine has a molecular weight of 727.95 g/mol, XLogP of 12.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine is sourced from PubChem (CID 170318617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).