2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile

C43H25N3O — CID 129291042

IUPAC2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2c3c(ccc21)oc1ccccc13
InChIInChI=1S/C43H25N3O/c44-26-33-27(28-12-1-6-18-34(28)45-35-19-7-2-13-29(35)30-14-3-8-20-36(30)45)17-11-22-38(33)46-37-21-9-4-15-31(37)42-39(46)24-25-41-43(42)32-16-5-10-23-40(32)47-41/h1-25H
InChIKeyLJNRDFJUBAECTB-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.32
Rot. Bonds3

About 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile

2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile (PubChem CID 129291042) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
PubChem CID129291042
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2c3c(ccc21)oc1ccccc13
InChIInChI=1S/C43H25N3O/c44-26-33-27(28-12-1-6-18-34(28)45-35-19-7-2-13-29(35)30-14-3-8-20-36(30)45)17-11-22-38(33)46-37-21-9-4-15-31(37)42-39(46)24-25-41-43(42)32-16-5-10-23-40(32)47-41/h1-25H
InChIKeyLJNRDFJUBAECTB-UHFFFAOYSA-N
XLogP11.32
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
The IUPAC name of 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile (CID 129291042) is 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile.
What is the SMILES notation for 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
The canonical SMILES for 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile is N#Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2c3c(ccc21)oc1ccccc13.
What is the InChIKey of 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
The InChIKey is LJNRDFJUBAECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c44-26-33-27(28-12-1-6-18-34(28)45-35-19-7-2-13-29(35)30-14-3-8-20-36(30)45)17-11-22-38(33)46-37-21-9-4-15-31(37)42-39(46)24-25-41-43(42)32-16-5-10-23-40(32)47-41/h1-25H.
What are the key properties of 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?
2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile has a molecular weight of 599.69 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-ylphenyl)-6-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile is sourced from PubChem (CID 129291042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).