25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene

C80H43N9 — CID 130266460

About 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene

25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene (PubChem CID 130266460) has the molecular formula C80H43N9 and a molecular weight of 1130.29 g/mol. Its IUPAC name is 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene.

Molecular Properties

• Compound Name: 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene
• PubChem CID: 130266460
• Molecular Formula: C80H43N9
• Molecular Weight: 1130.29 g/mol
• Exact Mass: 1129.36
• IUPAC Name: 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene
• SMILES: c1cnc2nc(-n3c4ccccc4c4c5c6c7ccc(-c8ccc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12c%13c%14c%15ccccc%15ccc%14n%14c%15ccccc%15c(cc%12%11)c%13%14)cnc%109)cc8)cc7ccc6n6c7ccccc7c(cc43)c56)ncc2c1
• InChI: InChI=1S/C80H43N9/c1-2-16-51-45(14-1)30-35-66-70(51)74-72-56-20-6-11-25-64(56)85(68(72)40-58-53-17-3-9-23-62(53)87(66)76(58)74)50-39-60-55-19-5-8-22-61(55)86(79(60)82-43-50)49-32-27-44(28-33-49)46-29-34-52-47(38-46)31-36-67-71(52)75-73-57-21-7-12-26-65(57)89(80-83-42-48-15-13-37-81-78(48)84-80)69(73)41-59-54-18-4-10-24-63(54)88(67)77(59)75/h1-43H
• InChIKey: INWNTAFBCUEKIV-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 75.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.29
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

The IUPAC name of 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene (CID 130266460) is 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene.

What is the SMILES notation for 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

The canonical SMILES for 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene is c1cnc2nc(-n3c4ccccc4c4c5c6c7ccc(-c8ccc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12c%13c%14c%15ccccc%15ccc%14n%14c%15ccccc%15c(cc%12%11)c%13%14)cnc%109)cc8)cc7ccc6n6c7ccccc7c(cc43)c56)ncc2c1.

What is the InChIKey of 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

The InChIKey is INWNTAFBCUEKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H43N9/c1-2-16-51-45(14-1)30-35-66-70(51)74-72-56-20-6-11-25-64(56)85(68(72)40-58-53-17-3-9-23-62(53)87(66)76(58)74)50-39-60-55-19-5-8-22-61(55)86(79(60)82-43-50)49-32-27-44(28-33-49)46-29-34-52-47(38-46)31-36-67-71(52)75-73-57-21-7-12-26-65(57)89(80-83-42-48-15-13-37-81-78(48)84-80)69(73)41-59-54-18-4-10-24-63(54)88(67)77(59)75/h1-43H.

What are the key properties of 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene?

25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene has a molecular weight of 1130.29 g/mol, XLogP of 19.98, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 25-[4-[3-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaen-9-yl)pyrido[2,3-b]indol-9-yl]phenyl]-9-pyrido[2,3-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23(28),24,26-tetradecaene is sourced from PubChem (CID 130266460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).