[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate

C60H38N2O6 — CID 88985935

About [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate

[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate (PubChem CID 88985935) has the molecular formula C60H38N2O6 and a molecular weight of 882.97 g/mol. Its IUPAC name is [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate.

Molecular Properties

• Compound Name: [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate
• PubChem CID: 88985935
• Molecular Formula: C60H38N2O6
• Molecular Weight: 882.97 g/mol
• Exact Mass: 882.27
• IUPAC Name: [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate
• SMILES: C=CC(=O)Oc1ccc2oc3c(c2c1)C=C(c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(OC(=O)C=C)cc4c2oc2ccc(-n5c6ccccc6c6ccccc65)cc24)c1)CC3
• InChI: InChI=1S/C60H38N2O6/c1-3-58(63)65-40-23-27-56-49(32-40)47-30-36(21-25-55(47)67-56)35-20-24-54-46(29-35)44-16-7-10-19-53(44)61(54)38-13-11-12-37(28-38)45-33-41(66-59(64)4-2)34-50-48-31-39(22-26-57(48)68-60(45)50)62-51-17-8-5-14-42(51)43-15-6-9-18-52(43)62/h3-20,22-24,26-34H,1-2,21,25H2
• InChIKey: NNVSMBGRNUKLLO-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 88.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.97
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate?

The IUPAC name of [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate (CID 88985935) is [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate.

What is the SMILES notation for [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate?

The canonical SMILES for [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate is C=CC(=O)Oc1ccc2oc3c(c2c1)C=C(c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(OC(=O)C=C)cc4c2oc2ccc(-n5c6ccccc6c6ccccc65)cc24)c1)CC3.

What is the InChIKey of [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate?

The InChIKey is NNVSMBGRNUKLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O6/c1-3-58(63)65-40-23-27-56-49(32-40)47-30-36(21-25-55(47)67-56)35-20-24-54-46(29-35)44-16-7-10-19-53(44)61(54)38-13-11-12-37(28-38)45-33-41(66-59(64)4-2)34-50-48-31-39(22-26-57(48)68-60(45)50)62-51-17-8-5-14-42(51)43-15-6-9-18-52(43)62/h3-20,22-24,26-34H,1-2,21,25H2.

What are the key properties of [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate?

[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate has a molecular weight of 882.97 g/mol, XLogP of 14.86, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]-6,7-dihydrodibenzofuran-2-yl] prop-2-enoate is sourced from PubChem (CID 88985935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).