5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole

C52H30N4S2 — CID 58038546

IUPAC5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
SMILESc1cc(-c2ccc3sc4ccc(-n5c6ccccc6c6ncccc65)cc4c3c2)cc(-c2ccc3sc4ccc(-n5c6ccccc6c6ncccc65)cc4c3c2)c1
InChIInChI=1S/C52H30N4S2/c1-3-12-43-37(10-1)51-45(14-6-24-53-51)55(43)35-18-22-49-41(29-35)39-27-33(16-20-47(39)57-49)31-8-5-9-32(26-31)34-17-21-48-40(28-34)42-30-36(19-23-50(42)58-48)56-44-13-4-2-11-38(44)52-46(56)15-7-25-54-52/h1-30H
InChIKeyJXGOPPQYLSZZTI-UHFFFAOYSA-N
MW774.97 g/mol
LogP14.74
Rot. Bonds4

About 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole

5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole (PubChem CID 58038546) has the molecular formula C52H30N4S2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
PubChem CID58038546
Molecular FormulaC52H30N4S2
Molecular Weight774.97 g/mol
Exact Mass774.19
IUPAC Name5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
SMILESc1cc(-c2ccc3sc4ccc(-n5c6ccccc6c6ncccc65)cc4c3c2)cc(-c2ccc3sc4ccc(-n5c6ccccc6c6ncccc65)cc4c3c2)c1
InChIInChI=1S/C52H30N4S2/c1-3-12-43-37(10-1)51-45(14-6-24-53-51)55(43)35-18-22-49-41(29-35)39-27-33(16-20-47(39)57-49)31-8-5-9-32(26-31)34-17-21-48-40(28-34)42-30-36(19-23-50(42)58-48)56-44-13-4-2-11-38(44)52-46(56)15-7-25-54-52/h1-30H
InChIKeyJXGOPPQYLSZZTI-UHFFFAOYSA-N
XLogP14.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole (CID 58038546) is 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole is c1cc(-c2ccc3sc4ccc(-n5c6ccccc6c6ncccc65)cc4c3c2)cc(-c2ccc3sc4ccc(-n5c6ccccc6c6ncccc65)cc4c3c2)c1.
What is the InChIKey of 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole?
The InChIKey is JXGOPPQYLSZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S2/c1-3-12-43-37(10-1)51-45(14-6-24-53-51)55(43)35-18-22-49-41(29-35)39-27-33(16-20-47(39)57-49)31-8-5-9-32(26-31)34-17-21-48-40(28-34)42-30-36(19-23-50(42)58-48)56-44-13-4-2-11-38(44)52-46(56)15-7-25-54-52/h1-30H.
What are the key properties of 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole?
5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole has a molecular weight of 774.97 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[3-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 58038546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).