benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene

C87H143N5O2S — CID 158934408

IUPACbenzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccccc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C10H8.C9H7N.C8H7N.C7H6N2.C7H5NO.C6H6.C4H4O.C4H4S.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;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;16*1-2/h1-8H;1-7H;1-6,9H;1-5H,(H,8,9);1-5H;1-6H;2*1-4H;16*1-2H3
InChIKeyJJLVRDHDXXXJAH-UHFFFAOYSA-N
MW1323.20 g/mol
LogP31.77
Rot. Bonds

About benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene

benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene (PubChem CID 158934408) has the molecular formula C87H143N5O2S and a molecular weight of 1323.20 g/mol. Its IUPAC name is benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene.

Molecular Properties

Compound Namebenzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene
PubChem CID158934408
Molecular FormulaC87H143N5O2S
Molecular Weight1323.20 g/mol
Exact Mass1322.10
IUPAC Namebenzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccccc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C10H8.C9H7N.C8H7N.C7H6N2.C7H5NO.C6H6.C4H4O.C4H4S.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;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;16*1-2/h1-8H;1-7H;1-6,9H;1-5H,(H,8,9);1-5H;1-6H;2*1-4H;16*1-2H3
InChIKeyJJLVRDHDXXXJAH-UHFFFAOYSA-N
XLogP31.77
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001323.20
LogP ≤ 531.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 157926211
CID 157926211
CID 160685155
CID 160685155
1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;furan;methane;naphthalene;1,2,4-oxadiazole;1-phenyltriazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;1,3,4-thiadiazole;2H-triazole;2,2,2-trifluoro-1-phenylethanone
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8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;1-(1,1-difluoroethyl)-3-(trifluoromethyl)benzene;3,5-diphenyl-1H-pyrazole;furan;1H-indole;naphthalene;1,2-oxazole;1-phenyltriazole;1H-pyrazole;pyridazine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,2-thiazole;2,2,2-trifluoro-1-phenylethanone
CID 162282430
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
3-[2-(1-benzofuran-3-yl)-4-(1H-indol-3-yl)-1-benzothiophen-3-yl]-1-methylindazole
CID 140997535
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
2-[3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1H-pyrazol-3-yl)phenyl]quinoline
CID 141080146
2-[4-(1H-benzotriazol-4-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-2-thiophen-2-yl-1-benzothiophen-7-yl]quinoxaline
CID 141108456
2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline
CID 141213927
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553

Frequently Asked Questions

What is the IUPAC name of benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene?
The IUPAC name of benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene (CID 158934408) is benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene.
What is the SMILES notation for benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene?
The canonical SMILES for benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccccc1.c1ccoc1.c1ccsc1.
What is the InChIKey of benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene?
The InChIKey is JJLVRDHDXXXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.C8H7N.C7H6N2.C7H5NO.C6H6.C4H4O.C4H4S.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;1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;2*1-2-4-5-3-1;16*1-2/h1-8H;1-7H;1-6,9H;1-5H,(H,8,9);1-5H;1-6H;2*1-4H;16*1-2H3.
What are the key properties of benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene?
benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene has a molecular weight of 1323.20 g/mol, XLogP of 31.77, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-benzoxazole;ethane;furan;1H-indazole;1H-indole;naphthalene;quinoline;thiophene is sourced from PubChem (CID 158934408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).