14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene

C75H44N2O2 — CID 138506848

About 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene

14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene (PubChem CID 138506848) has the molecular formula C75H44N2O2 and a molecular weight of 1005.19 g/mol. Its IUPAC name is 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene.

Molecular Properties

• Compound Name: 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene
• PubChem CID: 138506848
• Molecular Formula: C75H44N2O2
• Molecular Weight: 1005.19 g/mol
• Exact Mass: 1004.34
• IUPAC Name: 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene
• SMILES: C=C/C=C\c1cc2c(cc1C)oc1ccc(-c3cc4c5ccccc5n5c6c(-c7ccccc7)c7c8cc(-c9ccc%10oc%11cc%12ccccc%12cc%11c%10c9)cc9c%10ccccc%10n(c7c(-c7ccccc7)c6c(c3)c45)c98)cc12
• InChI: InChI=1S/C75H44N2O2/c1-3-4-17-45-33-56-54-35-48(28-30-64(54)78-66(56)32-42(45)2)50-37-58-52-24-13-15-26-62(52)76-72(58)60(39-50)70-68(43-18-7-5-8-19-43)75-71(69(74(70)76)44-20-9-6-10-21-44)61-40-51(38-59-53-25-14-16-27-63(53)77(75)73(59)61)49-29-31-65-55(36-49)57-34-46-22-11-12-23-47(46)41-67(57)79-65/h3-41H,1H2,2H3/b17-4-
• InChIKey: LUHWKHSNKMYRMH-INGKJJEOSA-N
• XLogP: 21.11
• TPSA: 35.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.19
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene?

The IUPAC name of 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene (CID 138506848) is 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene.

What is the SMILES notation for 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene?

The canonical SMILES for 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene is C=C/C=C\c1cc2c(cc1C)oc1ccc(-c3cc4c5ccccc5n5c6c(-c7ccccc7)c7c8cc(-c9ccc%10oc%11cc%12ccccc%12cc%11c%10c9)cc9c%10ccccc%10n(c7c(-c7ccccc7)c6c(c3)c45)c98)cc12.

What is the InChIKey of 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene?

The InChIKey is LUHWKHSNKMYRMH-INGKJJEOSA-N. The full InChI is InChI=1S/C75H44N2O2/c1-3-4-17-45-33-56-54-35-48(28-30-64(54)78-66(56)32-42(45)2)50-37-58-52-24-13-15-26-62(52)76-72(58)60(39-50)70-68(43-18-7-5-8-19-43)75-71(69(74(70)76)44-20-9-6-10-21-44)61-40-51(38-59-53-25-14-16-27-63(53)77(75)73(59)61)49-29-31-65-55(36-49)57-34-46-22-11-12-23-47(46)41-67(57)79-65/h3-41H,1H2,2H3/b17-4-.

What are the key properties of 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene?

14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene has a molecular weight of 1005.19 g/mol, XLogP of 21.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[8-[(1Z)-buta-1,3-dienyl]-7-methyldibenzofuran-2-yl]-29-naphtho[2,3-b][1]benzofuran-2-yl-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6,8,10,12(32),13,15,17,21,23,25,27(31),28-pentadecaene is sourced from PubChem (CID 138506848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).