7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene

C90H50N8 — CID 130266597

About 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene

7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene (PubChem CID 130266597) has the molecular formula C90H50N8 and a molecular weight of 1243.45 g/mol. Its IUPAC name is 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene
• PubChem CID: 130266597
• Molecular Formula: C90H50N8
• Molecular Weight: 1243.45 g/mol
• Exact Mass: 1242.42
• IUPAC Name: 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-n2c3cc(-n4c5ccc6cc(-c7cccc(-n8c9ccccc9c9cc(-n%10c%11ccc%12ccccc%12c%11c%11c%12c%13ccccc%13n%13c%14ccccc%14c(cc%11%10)c%12%13)ncc98)c7)ccc6c5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)ccc3c3cccnc32)cc1
• InChI: InChI=1S/C90H50N8/c1-2-20-55(21-3-1)95-77-46-57(38-40-63(77)64-29-17-43-91-90(64)95)94-75-42-37-54-44-53(35-39-59(54)83(75)86-78(94)47-68-61-25-7-12-31-71(61)97-73-33-14-9-27-65(73)84(86)88(68)97)52-19-16-22-56(45-52)93-70-30-11-6-24-60(70)67-49-81(92-50-80(67)93)96-76-41-36-51-18-4-5-23-58(51)82(76)87-79(96)48-69-62-26-8-13-32-72(62)98-74-34-15-10-28-66(74)85(87)89(69)98/h1-50H
• InChIKey: BUWWLUPKOSBTHY-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 54.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1243.45
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene?

The IUPAC name of 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene (CID 130266597) is 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene is c1ccc(-n2c3cc(-n4c5ccc6cc(-c7cccc(-n8c9ccccc9c9cc(-n%10c%11ccc%12ccccc%12c%11c%11c%12c%13ccccc%13n%13c%14ccccc%14c(cc%11%10)c%12%13)ncc98)c7)ccc6c5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)ccc3c3cccnc32)cc1.

What is the InChIKey of 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene?

The InChIKey is BUWWLUPKOSBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H50N8/c1-2-20-55(21-3-1)95-77-46-57(38-40-63(77)64-29-17-43-91-90(64)95)94-75-42-37-54-44-53(35-39-59(54)83(75)86-78(94)47-68-61-25-7-12-31-71(61)97-73-33-14-9-27-65(73)84(86)88(68)97)52-19-16-22-56(45-52)93-70-30-11-6-24-60(70)67-49-81(92-50-80(67)93)96-76-41-36-51-18-4-5-23-58(51)82(76)87-79(96)48-69-62-26-8-13-32-72(62)98-74-34-15-10-28-66(74)85(87)89(69)98/h1-50H.

What are the key properties of 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene?

7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 1243.45 g/mol, XLogP of 23.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[3-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)pyrido[3,4-b]indol-9-yl]phenyl]-13-(9-phenylpyrido[2,3-b]indol-7-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4(9),5,7,10,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 130266597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).