7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene

C56H31N3 — CID 169056573

About 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene

7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene (PubChem CID 169056573) has the molecular formula C56H31N3 and a molecular weight of 745.89 g/mol. Its IUPAC name is 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene
• PubChem CID: 169056573
• Molecular Formula: C56H31N3
• Molecular Weight: 745.89 g/mol
• Exact Mass: 745.25
• IUPAC Name: 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6c7ccccc7cc7c8cc9c(cc8n(c45)c76)c4c5ccccc5cc5c6ccccc6n9c54)ccc32)cc1
• InChI: InChI=1S/C56H31N3/c1-2-15-35(16-3-1)57-47-23-10-8-19-39(47)42-27-34(25-26-49(42)57)38-21-12-22-41-52-36-17-6-4-14-33(36)29-45-43-30-51-46(31-50(43)59(54(38)41)56(45)52)53-37-18-7-5-13-32(37)28-44-40-20-9-11-24-48(40)58(51)55(44)53/h1-31H
• InChIKey: NHHYXCXALPMHGZ-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 13.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.89
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene?

The IUPAC name of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene (CID 169056573) is 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene.

What is the SMILES notation for 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene?

The canonical SMILES for 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6c7ccccc7cc7c8cc9c(cc8n(c45)c76)c4c5ccccc5cc5c6ccccc6n9c54)ccc32)cc1.

What is the InChIKey of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene?

The InChIKey is NHHYXCXALPMHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31N3/c1-2-15-35(16-3-1)57-47-23-10-8-19-39(47)42-27-34(25-26-49(42)57)38-21-12-22-41-52-36-17-6-4-14-33(36)29-45-43-30-51-46(31-50(43)59(54(38)41)56(45)52)53-37-18-7-5-13-32(37)28-44-40-20-9-11-24-48(40)58(51)55(44)53/h1-31H.

What are the key properties of 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene?

7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene has a molecular weight of 745.89 g/mol, XLogP of 15.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9-phenylcarbazol-3-yl)-5,24-diazaundecacyclo[22.14.1.15,12.02,23.04,21.06,11.013,18.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(11),7,9,12(40),13,15,17,19,21,25,27,29,31,33,35,37-nonadecaene is sourced from PubChem (CID 169056573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).