6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole

C52H30N8S — CID 90251064

IUPAC6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2c(c1)c1cccnc1n2-c1ccc2scc(-n3c4ccc(-n5c6ccccc6c6cccnc65)cc4c4cccnc43)c2c1
InChIInChI=1S/C52H30N8S/c1-3-15-43-34(9-1)36-11-5-23-53-49(36)57(43)31-17-20-45-40(27-31)38-13-7-25-55-51(38)59(45)33-19-22-48-42(29-33)47(30-61-48)60-46-21-18-32(28-41(46)39-14-8-26-56-52(39)60)58-44-16-4-2-10-35(44)37-12-6-24-54-50(37)58/h1-30H
InChIKeyDWRSZPPJCUSLNE-UHFFFAOYSA-N
MW798.94 g/mol
LogP12.87
Rot. Bonds4

About 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole

6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole (PubChem CID 90251064) has the molecular formula C52H30N8S and a molecular weight of 798.94 g/mol. Its IUPAC name is 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
PubChem CID90251064
Molecular FormulaC52H30N8S
Molecular Weight798.94 g/mol
Exact Mass798.23
IUPAC Name6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2c(c1)c1cccnc1n2-c1ccc2scc(-n3c4ccc(-n5c6ccccc6c6cccnc65)cc4c4cccnc43)c2c1
InChIInChI=1S/C52H30N8S/c1-3-15-43-34(9-1)36-11-5-23-53-49(36)57(43)31-17-20-45-40(27-31)38-13-7-25-55-51(38)59(45)33-19-22-48-42(29-33)47(30-61-48)60-46-21-18-32(28-41(46)39-14-8-26-56-52(39)60)58-44-16-4-2-10-35(44)37-12-6-24-54-50(37)58/h1-30H
InChIKeyDWRSZPPJCUSLNE-UHFFFAOYSA-N
XLogP12.87
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.94
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole with MolForge

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Related Compounds

9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
8-pyrido[4,3-b]indol-5-yl-5-[3-(8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251068
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
CID 177285265
6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
CID 146631702
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
9-phenylpyrido[2,3-b]indole
CID 15939260
10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 118104800

Frequently Asked Questions

What is the IUPAC name of 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
The IUPAC name of 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole (CID 90251064) is 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
The canonical SMILES for 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2-c1ccc2c(c1)c1cccnc1n2-c1ccc2scc(-n3c4ccc(-n5c6ccccc6c6cccnc65)cc4c4cccnc43)c2c1.
What is the InChIKey of 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
The InChIKey is DWRSZPPJCUSLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N8S/c1-3-15-43-34(9-1)36-11-5-23-53-49(36)57(43)31-17-20-45-40(27-31)38-13-7-25-55-51(38)59(45)33-19-22-48-42(29-33)47(30-61-48)60-46-21-18-32(28-41(46)39-14-8-26-56-52(39)60)58-44-16-4-2-10-35(44)37-12-6-24-54-50(37)58/h1-30H.
What are the key properties of 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole?
6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole has a molecular weight of 798.94 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 90251064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).