12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C34H19NOS — CID 118488639

IUPAC12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc2c(c1)ccc1c2c2ccc3c4ccccc4sc3c2n1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C34H19NOS/c1-2-8-22-20(7-1)13-18-28-32(22)27-17-16-26-25-10-4-6-12-31(25)37-34(26)33(27)35(28)21-14-15-24-23-9-3-5-11-29(23)36-30(24)19-21/h1-19H
InChIKeySGYDTQWKGQKXBY-UHFFFAOYSA-N
MW489.60 g/mol
LogP10.20
Rot. Bonds1

About 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 118488639) has the molecular formula C34H19NOS and a molecular weight of 489.60 g/mol. Its IUPAC name is 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID118488639
Molecular FormulaC34H19NOS
Molecular Weight489.60 g/mol
Exact Mass489.12
IUPAC Name12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc2c(c1)ccc1c2c2ccc3c4ccccc4sc3c2n1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C34H19NOS/c1-2-8-22-20(7-1)13-18-28-32(22)27-17-16-26-25-10-4-6-12-31(25)37-34(26)33(27)35(28)21-14-15-24-23-9-3-5-11-29(23)36-30(24)19-21/h1-19H
InChIKeySGYDTQWKGQKXBY-UHFFFAOYSA-N
XLogP10.20
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 118488639) is 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1ccc2c(c1)ccc1c2c2ccc3c4ccccc4sc3c2n1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is SGYDTQWKGQKXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19NOS/c1-2-8-22-20(7-1)13-18-28-32(22)27-17-16-26-25-10-4-6-12-31(25)37-34(26)33(27)35(28)21-14-15-24-23-9-3-5-11-29(23)36-30(24)19-21/h1-19H.
What are the key properties of 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 489.60 g/mol, XLogP of 10.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-3-yl-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 118488639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).