16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene

C112H62N10 — CID 138752079

About 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene

16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene (PubChem CID 138752079) has the molecular formula C112H62N10 and a molecular weight of 1547.80 g/mol. Its IUPAC name is 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene
• PubChem CID: 138752079
• Molecular Formula: C112H62N10
• Molecular Weight: 1547.80 g/mol
• Exact Mass: 1546.52
• IUPAC Name: 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccccc6c6cc7c8cc(-c9ccc%10nc(-c%11ccc(-n%12c%13ccccc%13c%13cc%14c%15ccccc%15n%15c%16cc%17ccccc%17cc%16c(c%13%12)c%14%15)cc%11)c(-n%11c%12ccccc%12c%12c%13ccccc%13ccc%12%11)nc%10c9)ccc8n8c9ccc%10ccccc%10c9c(c65)c78)c5ccccc45)cc32)cc1
• InChI: InChI=1S/C112H62N10/c1-2-26-71(27-3-1)117-91-37-17-12-30-75(91)79-51-44-70(60-99(79)117)105-80-34-10-11-35-81(80)111(116-115-105)122-94-40-20-15-33-78(94)86-62-87-83-56-68(48-53-96(83)119-98-55-47-64-23-7-9-29-74(64)102(98)104(109(87)119)110(86)122)69-45-52-89-90(58-69)114-112(121-95-41-21-16-36-82(95)101-73-28-8-6-22-63(73)46-54-97(101)121)106(113-89)65-42-49-72(50-43-65)118-92-38-18-13-31-76(92)84-61-85-77-32-14-19-39-93(77)120-100-59-67-25-5-4-24-66(67)57-88(100)103(107(84)118)108(85)120/h1-62H
• InChIKey: KOJPQUSESAZUQS-UHFFFAOYSA-N
• XLogP: 28.72
• TPSA: 80.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1547.80
LogP ≤ 5	28.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene?

The IUPAC name of 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene (CID 138752079) is 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene.

What is the SMILES notation for 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene?

The canonical SMILES for 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene is c1ccc(-n2c3ccccc3c3ccc(-c4nnc(-n5c6ccccc6c6cc7c8cc(-c9ccc%10nc(-c%11ccc(-n%12c%13ccccc%13c%13cc%14c%15ccccc%15n%15c%16cc%17ccccc%17cc%16c(c%13%12)c%14%15)cc%11)c(-n%11c%12ccccc%12c%12c%13ccccc%13ccc%12%11)nc%10c9)ccc8n8c9ccc%10ccccc%10c9c(c65)c78)c5ccccc45)cc32)cc1.

What is the InChIKey of 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene?

The InChIKey is KOJPQUSESAZUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H62N10/c1-2-26-71(27-3-1)117-91-37-17-12-30-75(91)79-51-44-70(60-99(79)117)105-80-34-10-11-35-81(80)111(116-115-105)122-94-40-20-15-33-78(94)86-62-87-83-56-68(48-53-96(83)119-98-55-47-64-23-7-9-29-74(64)102(98)104(109(87)119)110(86)122)69-45-52-89-90(58-69)114-112(121-95-41-21-16-36-82(95)101-73-28-8-6-22-63(73)46-54-97(101)121)106(113-89)65-42-49-72(50-43-65)118-92-38-18-13-31-76(92)84-61-85-77-32-14-19-39-93(77)120-100-59-67-25-5-4-24-66(67)57-88(100)103(107(84)118)108(85)120/h1-62H.

What are the key properties of 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene?

16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene has a molecular weight of 1547.80 g/mol, XLogP of 28.72, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[3-benzo[c]carbazol-7-yl-2-[4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaen-3-yl)phenyl]quinoxalin-6-yl]-28-[4-(9-phenylcarbazol-2-yl)phthalazin-1-yl]-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13(18),14,16,19(30),20,22,24,26-tetradecaene is sourced from PubChem (CID 138752079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).