9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene

C70H44N2O2 — CID 139323410

About 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene

9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene (PubChem CID 139323410) has the molecular formula C70H44N2O2 and a molecular weight of 945.13 g/mol. Its IUPAC name is 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene.

Molecular Properties

• Compound Name: 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
• PubChem CID: 139323410
• Molecular Formula: C70H44N2O2
• Molecular Weight: 945.13 g/mol
• Exact Mass: 944.34
• IUPAC Name: 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
• SMILES: Cc1cccc2c1oc1c(C(c3ccccc3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(C(c6ccccc6)c6cccc8c6oc6c(C)cccc68)ccc5n7c43)cccc12
• InChI: InChI=1S/C70H44N2O2/c1-39-15-9-25-49-51-27-13-29-53(69(51)73-67(39)49)63(41-17-5-3-6-18-41)43-31-33-59-55(35-43)45-21-11-23-47-57-38-62-58(37-61(57)71(59)65(45)47)48-24-12-22-46-56-36-44(32-34-60(56)72(62)66(46)48)64(42-19-7-4-8-20-42)54-30-14-28-52-50-26-10-16-40(2)68(50)74-70(52)54/h3-38,63-64H,1-2H3
• InChIKey: MPDUZDJBARHTOM-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 35.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.13
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?

The IUPAC name of 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene (CID 139323410) is 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene.

What is the SMILES notation for 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?

The canonical SMILES for 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene is Cc1cccc2c1oc1c(C(c3ccccc3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(C(c6ccccc6)c6cccc8c6oc6c(C)cccc68)ccc5n7c43)cccc12.

What is the InChIKey of 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?

The InChIKey is MPDUZDJBARHTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2/c1-39-15-9-25-49-51-27-13-29-53(69(51)73-67(39)49)63(41-17-5-3-6-18-41)43-31-33-59-55(35-43)45-21-11-23-47-57-38-62-58(37-61(57)71(59)65(45)47)48-24-12-22-46-56-36-44(32-34-60(56)72(62)66(46)48)64(42-19-7-4-8-20-42)54-30-14-28-52-50-26-10-16-40(2)68(50)74-70(52)54/h3-38,63-64H,1-2H3.

What are the key properties of 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene?

9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene has a molecular weight of 945.13 g/mol, XLogP of 18.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-bis[(6-methyldibenzofuran-4-yl)-phenylmethyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 139323410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).