9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

C43H23N3OSe — CID 140822892

IUPAC9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3c2c1
InChIInChI=1S/C43H23N3OSe/c44-24-25-13-16-36-31(21-25)28-7-1-4-10-34(28)45(36)26-14-19-40-32(22-26)33-23-27(15-20-41(33)48-40)46-35-11-5-2-8-29(35)42-37(46)17-18-39-43(42)30-9-3-6-12-38(30)47-39/h1-23H
InChIKeyZFZIKMWAEUFNOA-UHFFFAOYSA-N
MW676.64 g/mol
LogP11.02
Rot. Bonds2

About 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (PubChem CID 140822892) has the molecular formula C43H23N3OSe and a molecular weight of 676.64 g/mol. Its IUPAC name is 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
PubChem CID140822892
Molecular FormulaC43H23N3OSe
Molecular Weight676.64 g/mol
Exact Mass677.10
IUPAC Name9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3c2c1
InChIInChI=1S/C43H23N3OSe/c44-24-25-13-16-36-31(21-25)28-7-1-4-10-34(28)45(36)26-14-19-40-32(22-26)33-23-27(15-20-41(33)48-40)46-35-11-5-2-8-29(35)42-37(46)17-18-39-43(42)30-9-3-6-12-38(30)47-39/h1-23H
InChIKeyZFZIKMWAEUFNOA-UHFFFAOYSA-N
XLogP11.02
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.64
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile with MolForge

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Related Compounds

9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-(5-phenylindolo[3,2-b]carbazol-11-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140823043
9-[3-[[4-(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)phenyl]-diphenylsilyl]phenyl]carbazole-3-carbonitrile
CID 140842581
3-(4-carbazol-9-ylphenyl)-5-(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 129290907
4-carbazol-9-yl-3-[5-methyl-2-(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)phenyl]benzonitrile
CID 155299361
6-isocyano-9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140822677
14-[3-(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)phenyl]-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-nonaene
CID 67952738
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143

Frequently Asked Questions

What is the IUPAC name of 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (CID 140822892) is 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3c2c1.
What is the InChIKey of 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The InChIKey is ZFZIKMWAEUFNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H23N3OSe/c44-24-25-13-16-36-31(21-25)28-7-1-4-10-34(28)45(36)26-14-19-40-32(22-26)33-23-27(15-20-41(33)48-40)46-35-11-5-2-8-29(35)42-37(46)17-18-39-43(42)30-9-3-6-12-38(30)47-39/h1-23H.
What are the key properties of 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile has a molecular weight of 676.64 g/mol, XLogP of 11.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(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)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 140822892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).