9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole

C68H40N8S — CID 89027523

IUPAC9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-n5c6ccc(-n7c8ccc(-n9c%10ccccc%10c%10cccnc%109)cc8c8cccnc87)cc6c6cccnc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C68H40N8S/c1-3-24-59-49(16-1)52-20-8-32-69-65(52)74(59)45-26-30-61-57(38-45)54-22-10-34-71-67(54)76(61)47-28-31-62-58(40-47)55-23-11-35-72-68(55)75(62)46-27-29-60-56(39-46)53-21-9-33-70-66(53)73(60)44-15-6-13-42(37-44)41-12-5-14-43(36-41)48-18-7-19-51-50-17-2-4-25-63(50)77-64(48)51/h1-40H
InChIKeyFTDGRWKBEDCJGY-UHFFFAOYSA-N
MW1001.19 g/mol
LogP17.36
Rot. Bonds6

About 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole

9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole (PubChem CID 89027523) has the molecular formula C68H40N8S and a molecular weight of 1001.19 g/mol. Its IUPAC name is 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole
PubChem CID89027523
Molecular FormulaC68H40N8S
Molecular Weight1001.19 g/mol
Exact Mass1000.31
IUPAC Name9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-n5c6ccc(-n7c8ccc(-n9c%10ccccc%10c%10cccnc%109)cc8c8cccnc87)cc6c6cccnc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C68H40N8S/c1-3-24-59-49(16-1)52-20-8-32-69-65(52)74(59)45-26-30-61-57(38-45)54-22-10-34-71-67(54)76(61)47-28-31-62-58(40-47)55-23-11-35-72-68(55)75(62)46-27-29-60-56(39-46)53-21-9-33-70-66(53)73(60)44-15-6-13-42(37-44)41-12-5-14-43(36-41)48-18-7-19-51-50-17-2-4-25-63(50)77-64(48)51/h1-40H
InChIKeyFTDGRWKBEDCJGY-UHFFFAOYSA-N
XLogP17.36
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.19
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole (CID 89027523) is 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole is c1cc(-c2cccc(-n3c4ccc(-n5c6ccc(-n7c8ccc(-n9c%10ccccc%10c%10cccnc%109)cc8c8cccnc87)cc6c6cccnc65)cc4c4cccnc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole?
The InChIKey is FTDGRWKBEDCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N8S/c1-3-24-59-49(16-1)52-20-8-32-69-65(52)74(59)45-26-30-61-57(38-45)54-22-10-34-71-67(54)76(61)47-28-31-62-58(40-47)55-23-11-35-72-68(55)75(62)46-27-29-60-56(39-46)53-21-9-33-70-66(53)73(60)44-15-6-13-42(37-44)41-12-5-14-43(36-41)48-18-7-19-51-50-17-2-4-25-63(50)77-64(48)51/h1-40H.
What are the key properties of 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole?
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole has a molecular weight of 1001.19 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-[6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indol-9-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 89027523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).