8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine

C65H38N4S2 — CID 58099706

IUPAC8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine
SMILESc1cc(-c2cccc3c2sc2ccc(-n4c5ccccc5c5cc(-c6cc(-n7c8ccccc8c8ccccc87)cc7c6sc6ccncc67)ccc54)cc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C65H38N4S2/c1-6-22-56-45(15-1)46-16-2-7-23-57(46)67(56)41-14-11-13-39(33-41)44-20-12-21-50-53-35-42(28-30-62(53)70-64(44)50)68-60-26-10-5-19-49(60)52-34-40(27-29-61(52)68)51-36-43(37-54-55-38-66-32-31-63(55)71-65(51)54)69-58-24-8-3-17-47(58)48-18-4-9-25-59(48)69/h1-38H
InChIKeyKVOJILAZABFBDM-UHFFFAOYSA-N
MW939.18 g/mol
LogP18.44
Rot. Bonds5

About 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine

8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine (PubChem CID 58099706) has the molecular formula C65H38N4S2 and a molecular weight of 939.18 g/mol. Its IUPAC name is 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine
PubChem CID58099706
Molecular FormulaC65H38N4S2
Molecular Weight939.18 g/mol
Exact Mass938.25
IUPAC Name8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine
SMILESc1cc(-c2cccc3c2sc2ccc(-n4c5ccccc5c5cc(-c6cc(-n7c8ccccc8c8ccccc87)cc7c6sc6ccncc67)ccc54)cc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C65H38N4S2/c1-6-22-56-45(15-1)46-16-2-7-23-57(46)67(56)41-14-11-13-39(33-41)44-20-12-21-50-53-35-42(28-30-62(53)70-64(44)50)68-60-26-10-5-19-49(60)52-34-40(27-29-61(52)68)51-36-43(37-54-55-38-66-32-31-63(55)71-65(51)54)69-58-24-8-3-17-47(58)48-18-4-9-25-59(48)69/h1-38H
InChIKeyKVOJILAZABFBDM-UHFFFAOYSA-N
XLogP18.44
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.18
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine (CID 58099706) is 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine is c1cc(-c2cccc3c2sc2ccc(-n4c5ccccc5c5cc(-c6cc(-n7c8ccccc8c8ccccc87)cc7c6sc6ccncc67)ccc54)cc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is KVOJILAZABFBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N4S2/c1-6-22-56-45(15-1)46-16-2-7-23-57(46)67(56)41-14-11-13-39(33-41)44-20-12-21-50-53-35-42(28-30-62(53)70-64(44)50)68-60-26-10-5-19-49(60)52-34-40(27-29-61(52)68)51-36-43(37-54-55-38-66-32-31-63(55)71-65(51)54)69-58-24-8-3-17-47(58)48-18-4-9-25-59(48)69/h1-38H.
What are the key properties of 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine?
8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 939.18 g/mol, XLogP of 18.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-6-[9-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 58099706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).