3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole

C60H35N3OS — CID 58099819

IUPAC3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccc(-n5c6ccccc6c6ccccc65)cc34)cc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C60H35N3OS/c1-7-21-50-39(14-1)40-15-2-8-22-51(40)61(50)37-29-31-58-48(33-37)45-20-13-26-56(60(45)65-58)63-54-25-11-5-18-43(54)47-32-36(28-30-55(47)63)46-34-38(35-49-44-19-6-12-27-57(44)64-59(46)49)62-52-23-9-3-16-41(52)42-17-4-10-24-53(42)62/h1-35H
InChIKeyNYZXWTIDHGKDKT-UHFFFAOYSA-N
MW846.03 g/mol
LogP16.91
Rot. Bonds4

About 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole

3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole (PubChem CID 58099819) has the molecular formula C60H35N3OS and a molecular weight of 846.03 g/mol. Its IUPAC name is 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole
PubChem CID58099819
Molecular FormulaC60H35N3OS
Molecular Weight846.03 g/mol
Exact Mass845.25
IUPAC Name3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccc(-n5c6ccccc6c6ccccc65)cc34)cc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C60H35N3OS/c1-7-21-50-39(14-1)40-15-2-8-22-51(40)61(50)37-29-31-58-48(33-37)45-20-13-26-56(60(45)65-58)63-54-25-11-5-18-43(54)47-32-36(28-30-55(47)63)46-34-38(35-49-44-19-6-12-27-57(44)64-59(46)49)62-52-23-9-3-16-41(52)42-17-4-10-24-53(42)62/h1-35H
InChIKeyNYZXWTIDHGKDKT-UHFFFAOYSA-N
XLogP16.91
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.03
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole?
The IUPAC name of 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole (CID 58099819) is 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole?
The canonical SMILES for 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole is c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccc(-n5c6ccccc6c6ccccc65)cc34)cc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole?
The InChIKey is NYZXWTIDHGKDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3OS/c1-7-21-50-39(14-1)40-15-2-8-22-51(40)61(50)37-29-31-58-48(33-37)45-20-13-26-56(60(45)65-58)63-54-25-11-5-18-43(54)47-32-36(28-30-55(47)63)46-34-38(35-49-44-19-6-12-27-57(44)64-59(46)49)62-52-23-9-3-16-41(52)42-17-4-10-24-53(42)62/h1-35H.
What are the key properties of 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole?
3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole has a molecular weight of 846.03 g/mol, XLogP of 16.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 58099819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).