10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide

C70H36N3O4P — CID 134317343

About 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide

10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide (PubChem CID 134317343) has the molecular formula C70H36N3O4P and a molecular weight of 1014.05 g/mol. Its IUPAC name is 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide.

Molecular Properties

• Compound Name: 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide
• PubChem CID: 134317343
• Molecular Formula: C70H36N3O4P
• Molecular Weight: 1014.05 g/mol
• Exact Mass: 1013.24
• IUPAC Name: 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide
• SMILES: O=P12c3c4cccc3N(c3ccc5oc6cc7ccccc7cc6c5c3)c3cc5cccc6c5c(c31)N(c1cccc(c12)N4c1ccc2oc3cc4ccccc4cc3c2c1)c1ccc2oc3cc4ccccc4cc3c2c1-6
• InChI: InChI=1S/C70H36N3O4P/c74-78-68-53-18-8-20-55(68)72(45-23-26-59-50(36-45)48-29-38-11-2-5-14-41(38)33-62(48)76-59)57-31-43-16-7-17-46-64(43)67(70(57)78)73(52-24-27-60-66(65(46)52)51-30-39-12-3-6-15-42(39)34-63(51)77-60)56-21-9-19-54(69(56)78)71(53)44-22-25-58-49(35-44)47-28-37-10-1-4-13-40(37)32-61(47)75-58/h1-36H
• InChIKey: LPBCZHNVARXLOM-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 66.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.05
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide?

The IUPAC name of 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide (CID 134317343) is 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide.

What is the SMILES notation for 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide?

The canonical SMILES for 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide is O=P12c3c4cccc3N(c3ccc5oc6cc7ccccc7cc6c5c3)c3cc5cccc6c5c(c31)N(c1cccc(c12)N4c1ccc2oc3cc4ccccc4cc3c2c1)c1ccc2oc3cc4ccccc4cc3c2c1-6.

What is the InChIKey of 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide?

The InChIKey is LPBCZHNVARXLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H36N3O4P/c74-78-68-53-18-8-20-55(68)72(45-23-26-59-50(36-45)48-29-38-11-2-5-14-41(38)33-62(48)76-59)57-31-43-16-7-17-46-64(43)67(70(57)78)73(52-24-27-60-66(65(46)52)51-30-39-12-3-6-15-42(39)34-63(51)77-60)56-21-9-19-54(69(56)78)71(53)44-22-25-58-49(35-44)47-28-37-10-1-4-13-40(37)32-61(47)75-58/h1-36H.

What are the key properties of 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide?

10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide has a molecular weight of 1014.05 g/mol, XLogP of 18.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide is sourced from PubChem (CID 134317343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).