9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine

C53H32N2O2S — CID 144548905

IUPAC9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccc(-c3cncc(-c4ccc5oc6ccc(-c7cccc8c7sc7ccccc78)cc6c5c4)c3)cc12
InChIInChI=1S/C41H23NO2S.C12H9N/c1-3-10-36-30(6-1)33-19-24(12-15-37(33)43-36)27-18-28(23-42-22-27)25-13-16-38-34(20-25)35-21-26(14-17-39(35)44-38)29-8-5-9-32-31-7-2-4-11-40(31)45-41(29)32;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-23H;1-8,13H
InChIKeyHZAAXXSCBIDIFT-UHFFFAOYSA-N
MW760.92 g/mol
LogP15.57
Rot. Bonds3

About 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine

9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine (PubChem CID 144548905) has the molecular formula C53H32N2O2S and a molecular weight of 760.92 g/mol. Its IUPAC name is 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine
PubChem CID144548905
Molecular FormulaC53H32N2O2S
Molecular Weight760.92 g/mol
Exact Mass760.22
IUPAC Name9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccc(-c3cncc(-c4ccc5oc6ccc(-c7cccc8c7sc7ccccc78)cc6c5c4)c3)cc12
InChIInChI=1S/C41H23NO2S.C12H9N/c1-3-10-36-30(6-1)33-19-24(12-15-37(33)43-36)27-18-28(23-42-22-27)25-13-16-38-34(20-25)35-21-26(14-17-39(35)44-38)29-8-5-9-32-31-7-2-4-11-40(31)45-41(29)32;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-23H;1-8,13H
InChIKeyHZAAXXSCBIDIFT-UHFFFAOYSA-N
XLogP15.57
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.92
LogP ≤ 515.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(5-(1H-indol-5-yl)thiophen-2-yl)-2-(piperidin-1-yl)-4H-chromen-4-one
CID 44562590
6-(1H-indol-6-yl)-2-thiophen-3-ylchromen-4-one
CID 44202181
(2Z)-5-(1H-indol-6-yl)-2-(thiophen-3-ylmethylidene)-1-benzofuran-3-one
CID 44202182
4-(1-benzofuran-2-yl)-2-(1H-indol-3-yl)-2,3-dihydro-1,5-benzothiazepine
CID 145963209
[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 88351418
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
3,7-Bis[bis(4-fluorophenyl)phosphoryl]dibenzofuran;2,7-bis[bis(4-fluorophenyl)phosphoryl]-9-phenylcarbazole;5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzothiophene
CID 159199834
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073534
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073634
(e)-9-(2-(5-(Benzofuran-2-yl)thiophen-2-yl)vinyl)-9h-carbazole
CID 168431976

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine?
The IUPAC name of 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine (CID 144548905) is 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine?
The canonical SMILES for 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine is c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccc(-c3cncc(-c4ccc5oc6ccc(-c7cccc8c7sc7ccccc78)cc6c5c4)c3)cc12.
What is the InChIKey of 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine?
The InChIKey is HZAAXXSCBIDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23NO2S.C12H9N/c1-3-10-36-30(6-1)33-19-24(12-15-37(33)43-36)27-18-28(23-42-22-27)25-13-16-38-34(20-25)35-21-26(14-17-39(35)44-38)29-8-5-9-32-31-7-2-4-11-40(31)45-41(29)32;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-23H;1-8,13H.
What are the key properties of 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine?
9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine has a molecular weight of 760.92 g/mol, XLogP of 15.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 144548905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).