32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene

C51H35NO — CID 146420759

IUPAC32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene
SMILESCC1(C)C2=C(C=CCC2)c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc21
InChIInChI=1S/C51H35NO/c1-51(2)45-20-9-7-16-37(45)42-27-44-43-26-40-35-14-5-3-12-33(35)34-13-4-6-15-36(34)41(40)28-47(43)52(48(44)29-46(42)51)31-24-22-30(23-25-31)32-18-11-19-39-38-17-8-10-21-49(38)53-50(32)39/h3-8,10-19,21-29H,9,20H2,1-2H3
InChIKeyVILPBSAVLQGURG-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.20
Rot. Bonds2

About 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene

32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene (PubChem CID 146420759) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene.

Molecular Properties

Compound Name32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene
PubChem CID146420759
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC Name32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene
SMILESCC1(C)C2=C(C=CCC2)c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc21
InChIInChI=1S/C51H35NO/c1-51(2)45-20-9-7-16-37(45)42-27-44-43-26-40-35-14-5-3-12-33(35)34-13-4-6-15-36(34)41(40)28-47(43)52(48(44)29-46(42)51)31-24-22-30(23-25-31)32-18-11-19-39-38-17-8-10-21-49(38)53-50(32)39/h3-8,10-19,21-29H,9,20H2,1-2H3
InChIKeyVILPBSAVLQGURG-UHFFFAOYSA-N
XLogP14.20
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene with MolForge

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Related Compounds

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CID 160885475
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Frequently Asked Questions

What is the IUPAC name of 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene?
The IUPAC name of 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene (CID 146420759) is 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene.
What is the SMILES notation for 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene?
The canonical SMILES for 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene is CC1(C)C2=C(C=CCC2)c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc21.
What is the InChIKey of 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene?
The InChIKey is VILPBSAVLQGURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)45-20-9-7-16-37(45)42-27-44-43-26-40-35-14-5-3-12-33(35)34-13-4-6-15-36(34)41(40)28-47(43)52(48(44)29-46(42)51)31-24-22-30(23-25-31)32-18-11-19-39-38-17-8-10-21-49(38)53-50(32)39/h3-8,10-19,21-29H,9,20H2,1-2H3.
What are the key properties of 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene?
32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene has a molecular weight of 677.85 g/mol, XLogP of 14.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene is sourced from PubChem (CID 146420759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).