3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole

C36H22ClFN2O2 — CID 176641979

IUPAC3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cc(-n2c3cc(Oc4cccc(Cl)c4)ccc3c3c4oc5ccccc5c4ccc32)ncc1-c1ccc(F)cc1
InChIInChI=1S/C36H22ClFN2O2/c1-21-17-34(39-20-30(21)22-9-11-24(38)12-10-22)40-31-16-15-28-27-7-2-3-8-33(27)42-36(28)35(31)29-14-13-26(19-32(29)40)41-25-6-4-5-23(37)18-25/h2-20H,1H3
InChIKeyNIZBHJQBYMXPIK-UHFFFAOYSA-N
MW569.04 g/mol
LogP10.64
Rot. Bonds4

About 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole

3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 176641979) has the molecular formula C36H22ClFN2O2 and a molecular weight of 569.04 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID176641979
Molecular FormulaC36H22ClFN2O2
Molecular Weight569.04 g/mol
Exact Mass568.14
IUPAC Name3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cc(-n2c3cc(Oc4cccc(Cl)c4)ccc3c3c4oc5ccccc5c4ccc32)ncc1-c1ccc(F)cc1
InChIInChI=1S/C36H22ClFN2O2/c1-21-17-34(39-20-30(21)22-9-11-24(38)12-10-22)40-31-16-15-28-27-7-2-3-8-33(27)42-36(28)35(31)29-14-13-26(19-32(29)40)41-25-6-4-5-23(37)18-25/h2-20H,1H3
InChIKeyNIZBHJQBYMXPIK-UHFFFAOYSA-N
XLogP10.64
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.04
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-((5-(4-(Tertbutyl)pyridin-2-yl)-5h-benzofuro[3,2-c]carbazol-3-yl)oxy) aniline
CID 176783564
5-[5-chloro-2-(4-fluoro-1,3-dihydroisoindol-2-yl)-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89436480
7-[4-(3,5-Difluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 117827087
5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]carbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide
CID 118398800
3-[9-[6-(8-Fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 121276736
N-(2-fluorophenyl)-N-[7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-2-yl]pyridin-2-amine
CID 121474120
5-[1-[1-(5-chloroimidazo[1,2-a]pyridin-2-yl)ethenyl]piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfanyl)amino]-1-benzofuran-3-carboxamide
CID 123656684
5-[3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 123695599
5-[3-[[2-(4-chlorophenyl)-2-methylpropyl]-ethylcarbamoyl]phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-e]indole-3-carboxamide
CID 123735636
16-N,30-N-bis(4-tert-butylphenyl)-4-fluoro-16-N,30-N-bis(5-methyl-2-pyridinyl)-22-oxaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.023,28]hentriaconta-1(31),2(7),3,5,8,10,12,14(19),15,17,20,23,25,27,29-pentadecaene-16,30-diamine
CID 124185924
5-N-(2,4-diphenylphenyl)-9-N-(3,5-diphenyl-2-pyridinyl)-5-N,9-N-bis(4-fluorophenyl)-7,7-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 126632942
5-N',9-N'-bis(4-tert-butylphenyl)-4-fluoro-5-N'-phenyl-9-N'-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 129119415

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (CID 176641979) is 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is Cc1cc(-n2c3cc(Oc4cccc(Cl)c4)ccc3c3c4oc5ccccc5c4ccc32)ncc1-c1ccc(F)cc1.
What is the InChIKey of 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is NIZBHJQBYMXPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClFN2O2/c1-21-17-34(39-20-30(21)22-9-11-24(38)12-10-22)40-31-16-15-28-27-7-2-3-8-33(27)42-36(28)35(31)29-14-13-26(19-32(29)40)41-25-6-4-5-23(37)18-25/h2-20H,1H3.
What are the key properties of 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 569.04 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-5-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 176641979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).