26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene

C104H60N6 — CID 166821209

About 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene

26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene (PubChem CID 166821209) has the molecular formula C104H60N6 and a molecular weight of 1393.67 g/mol. Its IUPAC name is 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]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[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
• PubChem CID: 166821209
• Molecular Formula: C104H60N6
• Molecular Weight: 1393.67 g/mol
• Exact Mass: 1392.49
• IUPAC Name: 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
• SMILES: c1ccc(-c2ccc(-c3nc4c(ccc5cc(-c6ccc7c(c6)c6ccccc6c6ccc8c(c67)c6c7ccccc7ccc6n8-c6nc7c(ccc8ccccc87)nc6-c6ccc(-c7ccccc7)cc6)ccc54)nc3-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)cc2)cc1
• InChI: InChI=1S/C104H60N6/c1-3-19-61(20-4-1)63-35-39-68(40-36-63)99-104(108-102-75-28-12-9-25-67(75)45-53-87(102)105-99)110-90-56-48-66-24-8-11-27-74(66)96(90)98-92(110)58-52-84-80-32-15-16-33-81(80)86-60-71(44-50-85(86)94(84)98)70-43-49-76-72(59-70)46-54-88-101(76)107-100(69-41-37-64(38-42-69)62-21-5-2-6-22-62)103(106-88)109-89-55-47-65-23-7-10-26-73(65)95(89)97-91(109)57-51-83-79-31-14-13-29-77(79)78-30-17-18-34-82(78)93(83)97/h1-60H
• InChIKey: YILFOLGQSFLACM-UHFFFAOYSA-N
• XLogP: 27.63
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1393.67
LogP ≤ 5	27.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]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[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene (CID 166821209) is 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]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[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]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[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene is c1ccc(-c2ccc(-c3nc4c(ccc5cc(-c6ccc7c(c6)c6ccccc6c6ccc8c(c67)c6c7ccccc7ccc6n8-c6nc7c(ccc8ccccc87)nc6-c6ccc(-c7ccccc7)cc6)ccc54)nc3-n3c4ccc5ccccc5c4c4c5c6ccccc6c6ccccc6c5ccc43)cc2)cc1.

What is the InChIKey of 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

The InChIKey is YILFOLGQSFLACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H60N6/c1-3-19-61(20-4-1)63-35-39-68(40-36-63)99-104(108-102-75-28-12-9-25-67(75)45-53-87(102)105-99)110-90-56-48-66-24-8-11-27-74(66)96(90)98-92(110)58-52-84-80-32-15-16-33-81(80)86-60-71(44-50-85(86)94(84)98)70-43-49-76-72(59-70)46-54-88-101(76)107-100(69-41-37-64(38-42-69)62-21-5-2-6-22-62)103(106-88)109-89-55-47-65-23-7-10-26-73(65)95(89)97-91(109)57-51-83-79-31-14-13-29-77(79)78-30-17-18-34-82(78)93(83)97/h1-60H.

What are the key properties of 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]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 1393.67 g/mol, XLogP of 27.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]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 166821209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).