26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene

C104H56N6O2 — CID 166821458

About 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene

26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene (PubChem CID 166821458) has the molecular formula C104H56N6O2 and a molecular weight of 1421.63 g/mol. Its IUPAC name is 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene.

Molecular Properties

• Compound Name: 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
• PubChem CID: 166821458
• Molecular Formula: C104H56N6O2
• Molecular Weight: 1421.63 g/mol
• Exact Mass: 1420.45
• IUPAC Name: 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
• SMILES: c1ccc2c(c1)ccc1nc(-c3cccc4oc5ccccc5c34)c(-n3c4ccc5c6ccccc6c6cc(-c7ccc8ccc9nc(-n%10c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11c%11ccc%12ccccc%12c%11%10)c(-c%10cccc%11oc%12ccccc%12c%10%11)nc9c8c7)ccc6c5c4c4ccc5ccccc5c43)nc12
• InChI: InChI=1S/C104H56N6O2/c1-4-22-63-57(19-1)44-51-83-97(63)108-104(99(105-83)77-33-17-37-89-91(77)75-31-13-15-35-87(75)111-89)110-86-54-50-73-69-28-9-10-29-70(69)82-56-62(43-46-74(82)94(73)96(86)80-48-42-59-21-3-6-24-65(59)102(80)110)61-40-39-60-45-52-84-98(81(60)55-61)107-100(78-34-18-38-90-92(78)76-32-14-16-36-88(76)112-90)103(106-84)109-85-53-49-72-68-27-8-7-25-66(68)67-26-11-12-30-71(67)93(72)95(85)79-47-41-58-20-2-5-23-64(58)101(79)109/h1-56H
• InChIKey: MQNZFVVYGVRHOW-UHFFFAOYSA-N
• XLogP: 28.10
• TPSA: 87.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.63
LogP ≤ 5	28.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

The IUPAC name of 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene (CID 166821458) is 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene.

What is the SMILES notation for 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

The canonical SMILES for 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene is c1ccc2c(c1)ccc1nc(-c3cccc4oc5ccccc5c34)c(-n3c4ccc5c6ccccc6c6cc(-c7ccc8ccc9nc(-n%10c%11ccc%12c%13ccccc%13c%13ccccc%13c%12c%11c%11ccc%12ccccc%12c%11%10)c(-c%10cccc%11oc%12ccccc%12c%10%11)nc9c8c7)ccc6c5c4c4ccc5ccccc5c43)nc12.

What is the InChIKey of 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

The InChIKey is MQNZFVVYGVRHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H56N6O2/c1-4-22-63-57(19-1)44-51-83-97(63)108-104(99(105-83)77-33-17-37-89-91(77)75-31-13-15-35-87(75)111-89)110-86-54-50-73-69-28-9-10-29-70(69)82-56-62(43-46-74(82)94(73)96(86)80-48-42-59-21-3-6-24-65(59)102(80)110)61-40-39-60-45-52-84-98(81(60)55-61)107-100(78-34-18-38-90-92(78)76-32-14-16-36-88(76)112-90)103(106-84)109-85-53-49-72-68-27-8-7-25-66(68)67-26-11-12-30-71(67)93(72)95(85)79-47-41-58-20-2-5-23-64(58)101(79)109/h1-56H.

What are the key properties of 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene has a molecular weight of 1421.63 g/mol, XLogP of 28.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene is sourced from PubChem (CID 166821458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).