14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C36H25NO — CID 142363423

IUPAC14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESC=Cc1c(C=C)n(-c2cccc3oc4ccccc4c23)c2ccccc2c2ccccc2c2ccccc12
InChIInChI=1S/C36H25NO/c1-3-24-25-14-5-6-15-26(25)27-16-7-8-17-28(27)29-18-9-11-20-32(29)37(31(24)4-2)33-21-13-23-35-36(33)30-19-10-12-22-34(30)38-35/h3-23H,1-2H2/b31-24-
InChIKeyTYHYAORMPBBQKO-QLTSDVKISA-N
MW487.60 g/mol
LogP10.25
Rot. Bonds3

About 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 142363423) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
PubChem CID142363423
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESC=Cc1c(C=C)n(-c2cccc3oc4ccccc4c23)c2ccccc2c2ccccc2c2ccccc12
InChIInChI=1S/C36H25NO/c1-3-24-25-14-5-6-15-26(25)27-16-7-8-17-28(27)29-18-9-11-20-32(29)37(31(24)4-2)33-21-13-23-35-36(33)30-19-10-12-22-34(30)38-35/h3-23H,1-2H2/b31-24-
InChIKeyTYHYAORMPBBQKO-QLTSDVKISA-N
XLogP10.25
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

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CID 138729692
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CID 134369922
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CID 169060972
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9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 142363423) is 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is C=Cc1c(C=C)n(-c2cccc3oc4ccccc4c23)c2ccccc2c2ccccc2c2ccccc12.
What is the InChIKey of 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is TYHYAORMPBBQKO-QLTSDVKISA-N. The full InChI is InChI=1S/C36H25NO/c1-3-24-25-14-5-6-15-26(25)27-16-7-8-17-28(27)29-18-9-11-20-32(29)37(31(24)4-2)33-21-13-23-35-36(33)30-19-10-12-22-34(30)38-35/h3-23H,1-2H2/b31-24-.
What are the key properties of 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 487.60 g/mol, XLogP of 10.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-dibenzofuran-1-yl-15,16-bis(ethenyl)-14-azatetracyclo[15.4.0.02,7.08,13]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 142363423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).