9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene

C63H46N4 — CID 169057278

About 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene

9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene (PubChem CID 169057278) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene.

Molecular Properties

• Compound Name: 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene
• PubChem CID: 169057278
• Molecular Formula: C63H46N4
• Molecular Weight: 859.09 g/mol
• Exact Mass: 858.37
• IUPAC Name: 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(nc4n2c31)c1c2ccccc2cc2c3cc4ccccc4cc3n5c21
• InChI: InChI=1S/C63H46N4/c1-62(2,3)39-30-44(38-24-25-53-45(27-38)43-22-14-15-23-52(43)65(53)41-19-8-7-9-20-41)58-48(31-39)49-32-40(63(4,5)6)33-50-51-34-55-57(64-61(51)67(58)59(49)50)56-42-21-13-12-18-37(42)28-47-46-26-35-16-10-11-17-36(35)29-54(46)66(55)60(47)56/h7-34H,1-6H3
• InChIKey: SIAOJQOJRFTLIB-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 26.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.09
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene?

The IUPAC name of 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene (CID 169057278) is 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene.

What is the SMILES notation for 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene?

The canonical SMILES for 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(nc4n2c31)c1c2ccccc2cc2c3cc4ccccc4cc3n5c21.

What is the InChIKey of 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene?

The InChIKey is SIAOJQOJRFTLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-62(2,3)39-30-44(38-24-25-53-45(27-38)43-22-14-15-23-52(43)65(53)41-19-8-7-9-20-41)58-48(31-39)49-32-40(63(4,5)6)33-50-51-34-55-57(64-61(51)67(58)59(49)50)56-42-21-13-12-18-37(42)28-47-46-26-35-16-10-11-17-36(35)29-54(46)66(55)60(47)56/h7-34H,1-6H3.

What are the key properties of 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene?

9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene has a molecular weight of 859.09 g/mol, XLogP of 17.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-3,5,20-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(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene is sourced from PubChem (CID 169057278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).