3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole

C76H47N3O2S — CID 152992779

IUPAC3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
SMILESC1=NC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc5oc6ccc(-c7cc(-c8ccc9oc%10ccc(-c%11ccccc%11-c%11ccccn%11)cc%10c9c8)cc8c7sc7ccccc78)cc6c5c4)ccc2n3-c2ccccc2)=CCC1
InChIInChI=1S/C76H47N3O2S/c1-2-14-53(15-3-1)79-69-30-24-46(38-60(69)61-41-49(25-31-70(61)79)54-16-4-6-18-56(54)67-21-10-12-36-77-67)47-26-32-71-62(39-47)65-43-51(29-35-74(65)80-71)59-44-52(45-66-58-20-8-9-23-75(58)82-76(59)66)48-27-33-72-63(40-48)64-42-50(28-34-73(64)81-72)55-17-5-7-19-57(55)68-22-11-13-37-78-68/h1-9,11,13-45H,10,12H2
InChIKeyUWPOGKUTKRAKCQ-UHFFFAOYSA-N
MW1066.30 g/mol
LogP21.55
Rot. Bonds8

About 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole

3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole (PubChem CID 152992779) has the molecular formula C76H47N3O2S and a molecular weight of 1066.30 g/mol. Its IUPAC name is 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
PubChem CID152992779
Molecular FormulaC76H47N3O2S
Molecular Weight1066.30 g/mol
Exact Mass1065.34
IUPAC Name3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
SMILESC1=NC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc5oc6ccc(-c7cc(-c8ccc9oc%10ccc(-c%11ccccc%11-c%11ccccn%11)cc%10c9c8)cc8c7sc7ccccc78)cc6c5c4)ccc2n3-c2ccccc2)=CCC1
InChIInChI=1S/C76H47N3O2S/c1-2-14-53(15-3-1)79-69-30-24-46(38-60(69)61-41-49(25-31-70(61)79)54-16-4-6-18-56(54)67-21-10-12-36-77-67)47-26-32-71-62(39-47)65-43-51(29-35-74(65)80-71)59-44-52(45-66-58-20-8-9-23-75(58)82-76(59)66)48-27-33-72-63(40-48)64-42-50(28-34-73(64)81-72)55-17-5-7-19-57(55)68-22-11-13-37-78-68/h1-9,11,13-45H,10,12H2
InChIKeyUWPOGKUTKRAKCQ-UHFFFAOYSA-N
XLogP21.55
TPSA56.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.30
LogP ≤ 521.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole with MolForge

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Related Compounds

[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
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
8-[4-([1]Benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2-phenylchromen-4-one
CID 135252646
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
2-[2-[6-[4-(2,3,4,5,6-Pentafluorophenyl)-6-[6-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]isoindole
CID 155096654
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617616

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole (CID 152992779) is 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole is C1=NC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc5oc6ccc(-c7cc(-c8ccc9oc%10ccc(-c%11ccccc%11-c%11ccccn%11)cc%10c9c8)cc8c7sc7ccccc78)cc6c5c4)ccc2n3-c2ccccc2)=CCC1.
What is the InChIKey of 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is UWPOGKUTKRAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H47N3O2S/c1-2-14-53(15-3-1)79-69-30-24-46(38-60(69)61-41-49(25-31-70(61)79)54-16-4-6-18-56(54)67-21-10-12-36-77-67)47-26-32-71-62(39-47)65-43-51(29-35-74(65)80-71)59-44-52(45-66-58-20-8-9-23-75(58)82-76(59)66)48-27-33-72-63(40-48)64-42-50(28-34-73(64)81-72)55-17-5-7-19-57(55)68-22-11-13-37-78-68/h1-9,11,13-45H,10,12H2.
What are the key properties of 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 1066.30 g/mol, XLogP of 21.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 152992779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).