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

C52H30N8S — CID 90251068

IUPAC8-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
SMILESc1ccc2c(c1)c1cnccc1n2-c1ccc2c(c1)c1cnccc1n2-c1ccc2scc(-n3c4ccncc4c4cc(-n5c6ccccc6c6cnccc65)ccc43)c2c1
InChIInChI=1S/C52H30N8S/c1-3-7-43-34(5-1)39-26-53-19-15-47(39)57(43)31-9-12-45-36(23-31)41-28-55-21-17-49(41)59(45)33-11-14-52-38(25-33)51(30-61-52)60-46-13-10-32(24-37(46)42-29-56-22-18-50(42)60)58-44-8-4-2-6-35(44)40-27-54-20-16-48(40)58/h1-30H
InChIKeyAKBWLPWOEOTCCY-UHFFFAOYSA-N
MW798.94 g/mol
LogP12.87
Rot. Bonds4

About 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

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 (PubChem CID 90251068) has the molecular formula C52H30N8S and a molecular weight of 798.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID90251068
Molecular FormulaC52H30N8S
Molecular Weight798.94 g/mol
Exact Mass798.23
IUPAC Name8-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
SMILESc1ccc2c(c1)c1cnccc1n2-c1ccc2c(c1)c1cnccc1n2-c1ccc2scc(-n3c4ccncc4c4cc(-n5c6ccccc6c6cnccc65)ccc43)c2c1
InChIInChI=1S/C52H30N8S/c1-3-7-43-34(5-1)39-26-53-19-15-47(39)57(43)31-9-12-45-36(23-31)41-28-55-21-17-49(41)59(45)33-11-14-52-38(25-33)51(30-61-52)60-46-13-10-32(24-37(46)42-29-56-22-18-50(42)60)58-44-8-4-2-6-35(44)40-27-54-20-16-48(40)58/h1-30H
InChIKeyAKBWLPWOEOTCCY-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 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 with MolForge

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Related Compounds

8-pyridin-3-yl-5-[3-(8-pyridin-3-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251055
8-dibenzofuran-2-yl-5-[3-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251052
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
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
3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole
CID 144961499
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
5-[9-(benzenesulfonyl)-6-pyrido[4,3-b]indol-5-ylcarbazol-3-yl]pyrido[4,3-b]indole;methane
CID 159139937
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)c1cnccc1n2-c1ccc2c(c1)c1cnccc1n2-c1ccc2scc(-n3c4ccncc4c4cc(-n5c6ccccc6c6cnccc65)ccc43)c2c1.
What is the InChIKey of 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?
The InChIKey is AKBWLPWOEOTCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N8S/c1-3-7-43-34(5-1)39-26-53-19-15-47(39)57(43)31-9-12-45-36(23-31)41-28-55-21-17-49(41)59(45)33-11-14-52-38(25-33)51(30-61-52)60-46-13-10-32(24-37(46)42-29-56-22-18-50(42)60)58-44-8-4-2-6-35(44)40-27-54-20-16-48(40)58/h1-30H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 90251068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).