9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole

C60H35N3S2 — CID 58099569

IUPAC9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)c2sc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5sc6c(-n7c8ccccc8c8ccccc87)cccc6c5c4)cc3c2c1
InChIInChI=1S/C60H35N3S2/c1-7-23-48-38(15-1)39-16-2-8-24-49(39)61(48)54-29-13-21-44-46-33-36(31-32-57(46)64-58(44)54)37-34-47-45-22-14-30-55(62-50-25-9-3-17-40(50)41-18-4-10-26-51(41)62)59(45)65-60(47)56(35-37)63-52-27-11-5-19-42(52)43-20-6-12-28-53(43)63/h1-35H
InChIKeyQQRPUNSJTZIAQS-UHFFFAOYSA-N
MW862.10 g/mol
LogP17.38
Rot. Bonds4

About 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole

9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole (PubChem CID 58099569) has the molecular formula C60H35N3S2 and a molecular weight of 862.10 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole
PubChem CID58099569
Molecular FormulaC60H35N3S2
Molecular Weight862.10 g/mol
Exact Mass861.23
IUPAC Name9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)c2sc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5sc6c(-n7c8ccccc8c8ccccc87)cccc6c5c4)cc3c2c1
InChIInChI=1S/C60H35N3S2/c1-7-23-48-38(15-1)39-16-2-8-24-49(39)61(48)54-29-13-21-44-46-33-36(31-32-57(46)64-58(44)54)37-34-47-45-22-14-30-55(62-50-25-9-3-17-40(50)41-18-4-10-26-51(41)62)59(45)65-60(47)56(35-37)63-52-27-11-5-19-42(52)43-20-6-12-28-53(43)63/h1-35H
InChIKeyQQRPUNSJTZIAQS-UHFFFAOYSA-N
XLogP17.38
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.10
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole (CID 58099569) is 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole is c1cc(-n2c3ccccc3c3ccccc32)c2sc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)c5sc6c(-n7c8ccccc8c8ccccc87)cccc6c5c4)cc3c2c1.
What is the InChIKey of 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole?
The InChIKey is QQRPUNSJTZIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3S2/c1-7-23-48-38(15-1)39-16-2-8-24-49(39)61(48)54-29-13-21-44-46-33-36(31-32-57(46)64-58(44)54)37-34-47-45-22-14-30-55(62-50-25-9-3-17-40(50)41-18-4-10-26-51(41)62)59(45)65-60(47)56(35-37)63-52-27-11-5-19-42(52)43-20-6-12-28-53(43)63/h1-35H.
What are the key properties of 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole?
9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole has a molecular weight of 862.10 g/mol, XLogP of 17.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-2-(6-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 58099569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).