19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene

C62H38N4O — CID 166700192

About 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene

19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene (PubChem CID 166700192) has the molecular formula C62H38N4O and a molecular weight of 855.01 g/mol. Its IUPAC name is 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene.

Molecular Properties

• Compound Name: 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene
• PubChem CID: 166700192
• Molecular Formula: C62H38N4O
• Molecular Weight: 855.01 g/mol
• Exact Mass: 854.30
• IUPAC Name: 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene
• SMILES: c1ccc(-n2c3ccccc3c3c(C4=NC(c5cccc6ccccc56)=C5CC(=N4)c4c(ccc6oc7ccccc7c46)-n4c6cc(ccc6c6cc7ccccc7cc64)C5)cccc32)cc1
• InChI: InChI=1S/C62H38N4O/c1-2-18-42(19-3-1)65-51-25-10-8-21-46(51)58-48(24-13-26-52(58)65)62-63-50-35-41(61(64-62)45-23-12-17-38-14-6-7-20-43(38)45)32-37-28-29-44-49-34-39-15-4-5-16-40(39)36-55(49)66(54(44)33-37)53-30-31-57-59(60(50)53)47-22-9-11-27-56(47)67-57/h1-31,33-34,36H,32,35H2
• InChIKey: ASVXQPWGDUIXBP-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 47.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.01
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?

The IUPAC name of 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene (CID 166700192) is 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene.

What is the SMILES notation for 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?

The canonical SMILES for 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene is c1ccc(-n2c3ccccc3c3c(C4=NC(c5cccc6ccccc56)=C5CC(=N4)c4c(ccc6oc7ccccc7c46)-n4c6cc(ccc6c6cc7ccccc7cc64)C5)cccc32)cc1.

What is the InChIKey of 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?

The InChIKey is ASVXQPWGDUIXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O/c1-2-18-42(19-3-1)65-51-25-10-8-21-46(51)58-48(24-13-26-52(58)65)62-63-50-35-41(61(64-62)45-23-12-17-38-14-6-7-20-43(38)45)32-37-28-29-44-49-34-39-15-4-5-16-40(39)36-55(49)66(54(44)33-37)53-30-31-57-59(60(50)53)47-22-9-11-27-56(47)67-57/h1-31,33-34,36H,32,35H2.

What are the key properties of 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?

19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene has a molecular weight of 855.01 g/mol, XLogP of 15.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19-naphthalen-1-yl-17-(9-phenylcarbazol-4-yl)-6-oxa-1,16,18-triazanonacyclo[20.13.2.115,20.02,14.05,13.07,12.025,36.026,35.028,33]octatriaconta-2(14),3,5(13),7,9,11,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene is sourced from PubChem (CID 166700192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).