7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene

C55H30N4 — CID 169057048

About 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene

7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene (PubChem CID 169057048) has the molecular formula C55H30N4 and a molecular weight of 746.87 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene
• PubChem CID: 169057048
• Molecular Formula: C55H30N4
• Molecular Weight: 746.87 g/mol
• Exact Mass: 746.25
• IUPAC Name: 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8nc9c(cc8n(c45)c67)c4c5ccccc5cc5c6cc7ccccc7cc6n9c54)ccc32)cc1
• InChI: InChI=1S/C55H30N4/c1-2-15-35(16-3-1)57-46-23-9-8-18-38(46)42-27-34(24-25-47(42)57)37-19-10-20-39-40-21-11-22-41-51-49(58(52(37)39)53(40)41)30-45-50-36-17-7-6-14-33(36)28-44-43-26-31-12-4-5-13-32(31)29-48(43)59(54(44)50)55(45)56-51/h1-30H
• InChIKey: YERPAUVYGSPPCN-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 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene?

The IUPAC name of 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene (CID 169057048) is 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene.

What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene?

The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6cccc7c8nc9c(cc8n(c45)c67)c4c5ccccc5cc5c6cc7ccccc7cc6n9c54)ccc32)cc1.

What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene?

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

What are the key properties of 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene?

7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-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 7-(9-phenylcarbazol-3-yl)-5,18,20-triazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2,4(17),6(11),7,9,12(40),13,15,18,21,23,25,27,29,31,33,35,37-nonadecaene is sourced from PubChem (CID 169057048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).