24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C39H22N2OS — CID 118503215

IUPAC24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc3)cccc12
InChIInChI=1S/C39H22N2OS/c1-2-12-27-26(11-1)35-29-13-3-6-17-31(29)41(37(35)39-36(27)30-14-5-8-19-33(30)43-39)34-21-20-23(22-40-34)24-15-9-16-28-25-10-4-7-18-32(25)42-38(24)28/h1-22H
InChIKeyGFOHAKAONPJGRW-UHFFFAOYSA-N
MW566.69 g/mol
LogP11.27
Rot. Bonds2

About 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 118503215) has the molecular formula C39H22N2OS and a molecular weight of 566.69 g/mol. Its IUPAC name is 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID118503215
Molecular FormulaC39H22N2OS
Molecular Weight566.69 g/mol
Exact Mass566.15
IUPAC Name24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc3)cccc12
InChIInChI=1S/C39H22N2OS/c1-2-12-27-26(11-1)35-29-13-3-6-17-31(29)41(37(35)39-36(27)30-14-5-8-19-33(30)43-39)34-21-20-23(22-40-34)24-15-9-16-28-25-10-4-7-18-32(25)42-38(24)28/h1-22H
InChIKeyGFOHAKAONPJGRW-UHFFFAOYSA-N
XLogP11.27
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.69
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 118503215) is 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc3)cccc12.
What is the InChIKey of 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is GFOHAKAONPJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2OS/c1-2-12-27-26(11-1)35-29-13-3-6-17-31(29)41(37(35)39-36(27)30-14-5-8-19-33(30)43-39)34-21-20-23(22-40-34)24-15-9-16-28-25-10-4-7-18-32(25)42-38(24)28/h1-22H.
What are the key properties of 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 566.69 g/mol, XLogP of 11.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(5-dibenzofuran-4-yl-2-pyridinyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 118503215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).