3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole

C60H35N3S2 — CID 71232668

IUPAC3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc43)cc12
InChIInChI=1S/C60H35N3S2/c1-6-16-51-41(11-1)42-12-2-7-17-52(42)61(51)39-24-29-59-49(34-39)50-35-40(25-30-60(50)65-59)63-54-19-9-4-14-44(54)47-32-37(22-27-56(47)63)36-21-26-55-46(31-36)43-13-3-8-18-53(43)62(55)38-23-28-58-48(33-38)45-15-5-10-20-57(45)64-58/h1-35H
InChIKeyHVIQCUBOJIRXOU-UHFFFAOYSA-N
MW862.10 g/mol
LogP17.38
Rot. Bonds4

About 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole

3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole (PubChem CID 71232668) has the molecular formula C60H35N3S2 and a molecular weight of 862.10 g/mol. Its IUPAC name is 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
PubChem CID71232668
Molecular FormulaC60H35N3S2
Molecular Weight862.10 g/mol
Exact Mass861.23
IUPAC Name3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc43)cc12
InChIInChI=1S/C60H35N3S2/c1-6-16-51-41(11-1)42-12-2-7-17-52(42)61(51)39-24-29-59-49(34-39)50-35-40(25-30-60(50)65-59)63-54-19-9-4-14-44(54)47-32-37(22-27-56(47)63)36-21-26-55-46(31-36)43-13-3-8-18-53(43)62(55)38-23-28-58-48(33-38)45-15-5-10-20-57(45)64-58/h1-35H
InChIKeyHVIQCUBOJIRXOU-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 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The IUPAC name of 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole (CID 71232668) is 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole.
What is the SMILES notation for 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The canonical SMILES for 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole is c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc43)cc12.
What is the InChIKey of 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The InChIKey is HVIQCUBOJIRXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3S2/c1-6-16-51-41(11-1)42-12-2-7-17-52(42)61(51)39-24-29-59-49(34-39)50-35-40(25-30-60(50)65-59)63-54-19-9-4-14-44(54)47-32-37(22-27-56(47)63)36-21-26-55-46(31-36)43-13-3-8-18-53(43)62(55)38-23-28-58-48(33-38)45-15-5-10-20-57(45)64-58/h1-35H.
What are the key properties of 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole 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 3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole is sourced from PubChem (CID 71232668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).