9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene

C62H51N3O — CID 177285826

About 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene

9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene (PubChem CID 177285826) has the molecular formula C62H51N3O and a molecular weight of 854.11 g/mol. Its IUPAC name is 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene.

Molecular Properties

• Compound Name: 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene
• PubChem CID: 177285826
• Molecular Formula: C62H51N3O
• Molecular Weight: 854.11 g/mol
• Exact Mass: 853.40
• IUPAC Name: 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c6cc(C(C)(C)C)cc7c8oc9ccccc9c8n(c5cc4n2c31)c67
• InChI: InChI=1S/C62H51N3O/c1-60(2,3)35-26-41(34-23-24-51-42(25-34)39-19-13-15-21-50(39)63(51)38-17-11-10-12-18-38)55-47(29-35)48-30-36(61(4,5)6)27-45-43-32-44-46-28-37(62(7,8)9)31-49-57(46)65(53(44)33-52(43)64(55)56(45)48)58-40-20-14-16-22-54(40)66-59(49)58/h10-33H,1-9H3
• InChIKey: GTRHGAADWTYNGA-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 26.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.11
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene?

The IUPAC name of 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene (CID 177285826) is 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene.

What is the SMILES notation for 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene?

The canonical SMILES for 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c6cc(C(C)(C)C)cc7c8oc9ccccc9c8n(c5cc4n2c31)c67.

What is the InChIKey of 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene?

The InChIKey is GTRHGAADWTYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N3O/c1-60(2,3)35-26-41(34-23-24-51-42(25-34)39-19-13-15-21-50(39)63(51)38-17-11-10-12-18-38)55-47(29-35)48-30-36(61(4,5)6)27-45-43-32-44-46-28-37(62(7,8)9)31-49-57(46)65(53(44)33-52(43)64(55)56(45)48)58-40-20-14-16-22-54(40)66-59(49)58/h10-33H,1-9H3.

What are the key properties of 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene?

9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene has a molecular weight of 854.11 g/mol, XLogP of 17.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14,22-tritert-butyl-7-(9-phenylcarbazol-3-yl)-26-oxa-1,5-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.024,34.025,33.027,32.016,35]pentatriaconta-2(19),3,6(11),7,9,12(35),13,15,17,20(34),21,23,25(33),27,29,31-hexadecaene is sourced from PubChem (CID 177285826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).