4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine

C33H18N4OS — CID 130191520

IUPAC4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1cncc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ncccc65)cc34)c12
InChIInChI=1S/C33H18N4OS/c1-3-8-25-21(6-1)31-26(9-5-14-35-31)37(25)19-11-12-27-23(16-19)32-33(38-27)20(13-15-36-32)24-17-34-18-29-30(24)22-7-2-4-10-28(22)39-29/h1-18H
InChIKeyVZCQWSRAKLMZGD-UHFFFAOYSA-N
MW518.60 g/mol
LogP8.90
Rot. Bonds2

About 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine

4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 130191520) has the molecular formula C33H18N4OS and a molecular weight of 518.60 g/mol. Its IUPAC name is 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID130191520
Molecular FormulaC33H18N4OS
Molecular Weight518.60 g/mol
Exact Mass518.12
IUPAC Name4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)sc1cncc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ncccc65)cc34)c12
InChIInChI=1S/C33H18N4OS/c1-3-8-25-21(6-1)31-26(9-5-14-35-31)37(25)19-11-12-27-23(16-19)32-33(38-27)20(13-15-36-32)24-17-34-18-29-30(24)22-7-2-4-10-28(22)39-29/h1-18H
InChIKeyVZCQWSRAKLMZGD-UHFFFAOYSA-N
XLogP8.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.60
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
CID 130191513
4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
CID 142336402
8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[3-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336460
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166
6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine
CID 142281052
8-(24-dibenzothiophen-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-[1]benzofuro[3,2-b]pyridine
CID 118391194
8-[18-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59147064
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
8-anthracen-9-yl-4-(8-anthracen-9-yl-[1]benzothiolo[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine;2-[5-[6-([1]benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;3-[2-[4-([1]benzofuro[3,2-b]pyridin-3-yl)-2-pyridinyl]-4-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-pyrido[3,2-b]indol-5-yl-3-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
CID 159297836
5-dibenzofuran-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-dibenzothiophen-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-phenylpyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 157173487
8-[5-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67952840
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 163640640

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine (CID 130191520) is 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)sc1cncc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ncccc65)cc34)c12.
What is the InChIKey of 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is VZCQWSRAKLMZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4OS/c1-3-8-25-21(6-1)31-26(9-5-14-35-31)37(25)19-11-12-27-23(16-19)32-33(38-27)20(13-15-36-32)24-17-34-18-29-30(24)22-7-2-4-10-28(22)39-29/h1-18H.
What are the key properties of 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 518.60 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130191520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).