benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline

C96H153N5O2 — CID 157085989

IUPACbenzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccccc1
InChIInChI=1S/C10H8.C9H7N.C8H9N.C8H7N.C8H8O.C8H6O.C7H6N2.C6H6.16C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;16*1-2/h1-8H;1-7H;1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;1-6H;1-5H,(H,8,9);1-6H;16*1-2H3
InChIKeyAECADHAXRIKFGM-UHFFFAOYSA-N
MW1409.31 g/mol
LogP32.62
Rot. Bonds

About benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline

benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline (PubChem CID 157085989) has the molecular formula C96H153N5O2 and a molecular weight of 1409.31 g/mol. Its IUPAC name is benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline.

Molecular Properties

Compound Namebenzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline
PubChem CID157085989
Molecular FormulaC96H153N5O2
Molecular Weight1409.31 g/mol
Exact Mass1408.20
IUPAC Namebenzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccccc1
InChIInChI=1S/C10H8.C9H7N.C8H9N.C8H7N.C8H8O.C8H6O.C7H6N2.C6H6.16C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;16*1-2/h1-8H;1-7H;1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;1-6H;1-5H,(H,8,9);1-6H;16*1-2H3
InChIKeyAECADHAXRIKFGM-UHFFFAOYSA-N
XLogP32.62
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.31
LogP ≤ 532.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,4-bis[4-(5-fluoro-1-benzofuran-3-yl)butyl]-1-(1H-indol-4-yl)piperazin-1-ium-1-yl]-1H-indole
CID 54268693
4-[4-[3-(5-fluoro-1-benzofuran-3-yl)propyl]-1-(1H-indol-4-yl)-4-[2-(4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1,4-diium-1-yl]-1H-indole
CID 57253980
Argon;1-benzofuran-4-ylphosphane;benzylphosphane;carbazol-9-ylphosphane;[difluoro(phenyl)methyl]phosphane;isoquinolin-1-ylphosphane;(1-methylindazol-4-yl)phosphane;(1-methylindol-4-yl)phosphane;naphthalen-1-ylphosphane
CID 157456221
(E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one
CID 158952019
1,1-Difluoroethylbenzene;1,4-dimethylindazole;1,4-dimethylindole;ethylbenzene;4-methyl-1-benzofuran;9-methylcarbazole;1-methylisoquinoline;1-methylnaphthalene
CID 162027088
2-(Ethyloxy)-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
CID 44540310
6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;iridium
CID 59358718
6-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3,5-dimethyl-4-[4-(2-methylbutoxy)phenyl]-1-phenylpyrazole;platinum(2+)
CID 59358976
(2S)-1-N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
CID 69192187
(2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
CID 69192191
1-[(2S)-1-[[6-ethyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[6-(furan-3-yl)-5-(1H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
CID 90901681
1-[2-[[6-[4-(1H-indazol-5-yl)-4-oxobutanoyl]-5-methyl-2-pyridinyl]oxymethyl]phenyl]-4-(1H-indol-5-yl)butane-1,4-dione
CID 123168552

Frequently Asked Questions

What is the IUPAC name of benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline?
The IUPAC name of benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline (CID 157085989) is benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline.
What is the SMILES notation for benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline?
The canonical SMILES for benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccccc1.
What is the InChIKey of benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline?
The InChIKey is AECADHAXRIKFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.C8H9N.C8H7N.C8H8O.C8H6O.C7H6N2.C6H6.16C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;4*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;16*1-2/h1-8H;1-7H;1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;1-6H;1-5H,(H,8,9);1-6H;16*1-2H3.
What are the key properties of benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline?
benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline has a molecular weight of 1409.31 g/mol, XLogP of 32.62, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-benzofuran;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;ethane;1H-indazole;1H-indole;naphthalene;quinoline is sourced from PubChem (CID 157085989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).