13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene

C55H30N4 — CID 169056190

About 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene

13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene (PubChem CID 169056190) has the molecular formula C55H30N4 and a molecular weight of 746.87 g/mol. Its IUPAC name is 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene
• PubChem CID: 169056190
• Molecular Formula: C55H30N4
• Molecular Weight: 746.87 g/mol
• Exact Mass: 746.25
• IUPAC Name: 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c%10c%11ccccc%11cc%11c%12cc%13ccccc%13cc%12n(c9cnc8n(c45)c67)c%11%10)ccc32)cc1
• InChI: InChI=1S/C55H30N4/c1-2-15-35(16-3-1)57-45-23-9-8-18-38(45)42-27-34(24-25-46(42)57)37-19-10-20-39-40-21-11-22-41-50-51-48(30-56-55(50)59(52(37)39)53(40)41)58-47-29-32-13-5-4-12-31(32)26-43(47)44-28-33-14-6-7-17-36(33)49(51)54(44)58/h1-30H
• InChIKey: OSJDIZIRQRGEIZ-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 26.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.87
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

The IUPAC name of 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene (CID 169056190) is 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene.

What is the SMILES notation for 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

The canonical SMILES for 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8c9c%10c%11ccccc%11cc%11c%12cc%13ccccc%13cc%12n(c9cnc8n(c45)c67)c%11%10)ccc32)cc1.

What is the InChIKey of 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

The InChIKey is OSJDIZIRQRGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4/c1-2-15-35(16-3-1)57-45-23-9-8-18-38(45)42-27-34(24-25-46(42)57)37-19-10-20-39-40-21-11-22-41-50-51-48(30-56-55(50)59(52(37)39)53(40)41)58-47-29-32-13-5-4-12-31(32)26-43(47)44-28-33-14-6-7-17-36(33)49(51)54(44)58/h1-30H.

What are the key properties of 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene?

13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene has a molecular weight of 746.87 g/mol, XLogP of 14.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(9-phenylcarbazol-3-yl)-15,17,20-triazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.033,38.015,40]tetraconta-1(39),2,4,6,8(40),9(14),10,12,16,18,21,23,25,27,29,31,33,35,37-nonadecaene is sourced from PubChem (CID 169056190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).