8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene

C38H23NOS — CID 164714058

IUPAC8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene
SMILESc1ccc2c(c1)Sc1cccc3cccc(c13)-c1ccccc1N2c1ccc2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C38H23NOS/c1-2-10-26-22-34-31(21-25(26)9-1)29-20-19-27(23-35(29)40-34)39-32-15-4-3-13-28(32)30-14-7-11-24-12-8-18-37(38(24)30)41-36-17-6-5-16-33(36)39/h1-23H
InChIKeyGFZLRVVPTKNXRL-UHFFFAOYSA-N
MW541.68 g/mol
LogP11.49
Rot. Bonds1

About 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene

8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene (PubChem CID 164714058) has the molecular formula C38H23NOS and a molecular weight of 541.68 g/mol. Its IUPAC name is 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene
PubChem CID164714058
Molecular FormulaC38H23NOS
Molecular Weight541.68 g/mol
Exact Mass541.15
IUPAC Name8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene
SMILESc1ccc2c(c1)Sc1cccc3cccc(c13)-c1ccccc1N2c1ccc2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C38H23NOS/c1-2-10-26-22-34-31(21-25(26)9-1)29-20-19-27(23-35(29)40-34)39-32-15-4-3-13-28(32)30-14-7-11-24-12-8-18-37(38(24)30)41-36-17-6-5-16-33(36)39/h1-23H
InChIKeyGFZLRVVPTKNXRL-UHFFFAOYSA-N
XLogP11.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene with MolForge

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Related Compounds

14-[7-(10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459653
14-dibenzofuran-2-yl-8-thia-1,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443231
7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine
CID 129134085
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849216
2-phenothiazin-10-ylxanthen-9-one
CID 130397701
2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
CID 2876619
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220855
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 164794861
12-[4-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 170044952

Frequently Asked Questions

What is the IUPAC name of 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene?
The IUPAC name of 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene (CID 164714058) is 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene.
What is the SMILES notation for 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene?
The canonical SMILES for 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene is c1ccc2c(c1)Sc1cccc3cccc(c13)-c1ccccc1N2c1ccc2c(c1)oc1cc3ccccc3cc12.
What is the InChIKey of 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene?
The InChIKey is GFZLRVVPTKNXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOS/c1-2-10-26-22-34-31(21-25(26)9-1)29-20-19-27(23-35(29)40-34)39-32-15-4-3-13-28(32)30-14-7-11-24-12-8-18-37(38(24)30)41-36-17-6-5-16-33(36)39/h1-23H.
What are the key properties of 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene?
8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene has a molecular weight of 541.68 g/mol, XLogP of 11.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphtho[2,3-b][1]benzofuran-3-yl-15-thia-8-azapentacyclo[14.7.1.02,7.09,14.020,24]tetracosa-1(23),2,4,6,9,11,13,16,18,20(24),21-undecaene is sourced from PubChem (CID 164714058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).