6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C40H24N2O — CID 164795483

About 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 164795483) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• PubChem CID: 164795483
• Molecular Formula: C40H24N2O
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.19
• IUPAC Name: 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
• SMILES: c1ccc2c(c1)Oc1cccc3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cccc4n-2c13
• InChI: InChI=1S/C40H24N2O/c1-2-12-27-25(11-1)26(23-24-34(27)41-32-17-5-3-13-28(32)29-14-4-6-18-33(29)41)30-15-9-20-36-39(30)31-16-10-22-38-40(31)42(36)35-19-7-8-21-37(35)43-38/h1-24H
• InChIKey: LFWCXTRAUGUXSC-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 19.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 164795483) is 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc2c(c1)Oc1cccc3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cccc4n-2c13.

What is the InChIKey of 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

The InChIKey is LFWCXTRAUGUXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-12-27-25(11-1)26(23-24-34(27)41-32-17-5-3-13-28(32)29-14-4-6-18-33(29)41)30-15-9-20-36-39(30)31-16-10-22-38-40(31)42(36)35-19-7-8-21-37(35)43-38/h1-24H.

What are the key properties of 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?

6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 548.65 g/mol, XLogP of 10.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-carbazol-9-ylnaphthalen-1-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).