1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine

C63H37N5S2 — CID 163665335

IUPAC1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc3sc4c(-c5cccc(-n6c7ccccc7c7cc(-c8cc9c%10ccccc%10n(-c%10cccc(-c%11cccc%12c%11sc%11ccccc%11%12)c%10)c9cn8)ncc76)c5)nccc4c3c2)cc1
InChIInChI=1S/C63H37N5S2/c1-2-13-38(14-3-1)39-27-28-60-52(33-39)49-29-30-64-61(63(49)70-60)41-16-11-18-43(32-41)68-56-25-8-5-20-46(56)51-35-54(66-37-58(51)68)53-34-50-45-19-4-7-24-55(45)67(57(50)36-65-53)42-17-10-15-40(31-42)44-22-12-23-48-47-21-6-9-26-59(47)69-62(44)48/h1-37H
InChIKeyIXYBWNVSSMFUNQ-UHFFFAOYSA-N
MW928.16 g/mol
LogP17.47
Rot. Bonds6

About 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine

1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 163665335) has the molecular formula C63H37N5S2 and a molecular weight of 928.16 g/mol. Its IUPAC name is 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine
PubChem CID163665335
Molecular FormulaC63H37N5S2
Molecular Weight928.16 g/mol
Exact Mass927.25
IUPAC Name1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc3sc4c(-c5cccc(-n6c7ccccc7c7cc(-c8cc9c%10ccccc%10n(-c%10cccc(-c%11cccc%12c%11sc%11ccccc%11%12)c%10)c9cn8)ncc76)c5)nccc4c3c2)cc1
InChIInChI=1S/C63H37N5S2/c1-2-13-38(14-3-1)39-27-28-60-52(33-39)49-29-30-64-61(63(49)70-60)41-16-11-18-43(32-41)68-56-25-8-5-20-46(56)51-35-54(66-37-58(51)68)53-34-50-45-19-4-7-24-55(45)67(57(50)36-65-53)42-17-10-15-40(31-42)44-22-12-23-48-47-21-6-9-26-59(47)69-62(44)48/h1-37H
InChIKeyIXYBWNVSSMFUNQ-UHFFFAOYSA-N
XLogP17.47
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.16
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine (CID 163665335) is 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2ccc3sc4c(-c5cccc(-n6c7ccccc7c7cc(-c8cc9c%10ccccc%10n(-c%10cccc(-c%11cccc%12c%11sc%11ccccc%11%12)c%10)c9cn8)ncc76)c5)nccc4c3c2)cc1.
What is the InChIKey of 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is IXYBWNVSSMFUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5S2/c1-2-13-38(14-3-1)39-27-28-60-52(33-39)49-29-30-64-61(63(49)70-60)41-16-11-18-43(32-41)68-56-25-8-5-20-46(56)51-35-54(66-37-58(51)68)53-34-50-45-19-4-7-24-55(45)67(57(50)36-65-53)42-17-10-15-40(31-42)44-22-12-23-48-47-21-6-9-26-59(47)69-62(44)48/h1-37H.
What are the key properties of 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 928.16 g/mol, XLogP of 17.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[9-(3-dibenzothiophen-4-ylphenyl)pyrido[3,4-b]indol-3-yl]pyrido[3,4-b]indol-9-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 163665335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).