17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

C36H22N2O — CID 164795779

About 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (PubChem CID 164795779) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
• PubChem CID: 164795779
• Molecular Formula: C36H22N2O
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.17
• IUPAC Name: 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
• SMILES: c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)O3)cc1
• InChI: InChI=1S/C36H22N2O/c1-4-12-30-26(8-1)27-9-2-5-13-31(27)37(30)25-19-16-23(17-20-25)24-18-21-34-33(22-24)38-32-14-6-3-10-28(32)29-11-7-15-35(39-34)36(29)38/h1-22H
• InChIKey: XZPFSOJUVHJLST-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 19.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

The IUPAC name of 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (CID 164795779) is 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.

What is the SMILES notation for 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

The canonical SMILES for 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)O3)cc1.

What is the InChIKey of 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

The InChIKey is XZPFSOJUVHJLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c1-4-12-30-26(8-1)27-9-2-5-13-31(27)37(30)25-19-16-23(17-20-25)24-18-21-34-33(22-24)38-32-14-6-3-10-28(32)29-11-7-15-35(39-34)36(29)38/h1-22H.

What are the key properties of 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?

17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 498.59 g/mol, XLogP of 9.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 164795779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).