2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole

C38H22N4O — CID 118517619

IUPAC2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)ccc43)o2)cc1
InChIInChI=1S/C38H22N4O/c1-2-10-23(11-3-1)37-39-40-38(43-37)42-34-17-9-4-12-26(34)29-20-24(18-19-35(29)42)25-21-30-27-13-5-7-15-32(27)41-33-16-8-6-14-28(33)31(22-25)36(30)41/h1-22H
InChIKeyCZYGKPLFGPCBJT-UHFFFAOYSA-N
MW550.62 g/mol
LogP9.65
Rot. Bonds3

About 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 118517619) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID118517619
Molecular FormulaC38H22N4O
Molecular Weight550.62 g/mol
Exact Mass550.18
IUPAC Name2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)ccc43)o2)cc1
InChIInChI=1S/C38H22N4O/c1-2-10-23(11-3-1)37-39-40-38(43-37)42-34-17-9-4-12-26(34)29-20-24(18-19-35(29)42)25-21-30-27-13-5-7-15-32(27)41-33-16-8-6-14-28(33)31(22-25)36(30)41/h1-22H
InChIKeyCZYGKPLFGPCBJT-UHFFFAOYSA-N
XLogP9.65
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole (CID 118517619) is 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)ccc43)o2)cc1.
What is the InChIKey of 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CZYGKPLFGPCBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c1-2-10-23(11-3-1)37-39-40-38(43-37)42-34-17-9-4-12-26(34)29-20-24(18-19-35(29)42)25-21-30-27-13-5-7-15-32(27)41-33-16-8-6-14-28(33)31(22-25)36(30)41/h1-22H.
What are the key properties of 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 550.62 g/mol, XLogP of 9.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)carbazol-9-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 118517619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).