benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene

C230H270N6OS3 — CID 158913563

IUPACbenzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C13H11N.C12H8O.3C12H8S.9C7H8.5C6H6.2C5H5N.13C2H6.CH4/c4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;9*1-7-5-3-2-4-6-7;7*1-2-4-6-5-3-1;13*1-2;/h4*2-9H,1H3;4*1-8H;9*2-6H,1H3;5*1-6H;2*1-5H;13*1-2H3;1H4
InChIKeyJGYKFLJNJKQUJY-UHFFFAOYSA-N
MW3230.93 g/mol
LogP71.60
Rot. Bonds

About benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene

benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene (PubChem CID 158913563) has the molecular formula C230H270N6OS3 and a molecular weight of 3230.93 g/mol. Its IUPAC name is benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene.

Molecular Properties

Compound Namebenzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene
PubChem CID158913563
Molecular FormulaC230H270N6OS3
Molecular Weight3230.93 g/mol
Exact Mass3228.04
IUPAC Namebenzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C13H11N.C12H8O.3C12H8S.9C7H8.5C6H6.2C5H5N.13C2H6.CH4/c4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;9*1-7-5-3-2-4-6-7;7*1-2-4-6-5-3-1;13*1-2;/h4*2-9H,1H3;4*1-8H;9*2-6H,1H3;5*1-6H;2*1-5H;13*1-2H3;1H4
InChIKeyJGYKFLJNJKQUJY-UHFFFAOYSA-N
XLogP71.60
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003230.93
LogP ≤ 571.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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
CID 157225149
CID 157225149
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
[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
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 158307601
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
CID 159961606
CID 159961606
1-(1-benzothiophen-3-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-3-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-(2,5-dimethylfuran-3-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 159986129
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
Bis(1-benzofuran-3-yl)-(1,1-difluoroethyl)phosphane;bis(1-benzothiophen-3-yl)-(1,1-difluoroethyl)phosphane;1,1-difluoroethyl-bis(furan-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylindol-3-yl)phosphane;1,1-difluoroethyl-bis(1-methylpyrrol-3-yl)phosphane;1,1-difluoroethyl-di(thiophen-3-yl)phosphane
CID 167631421
(e)-9-(2-(5-(Benzofuran-2-yl)thiophen-2-yl)vinyl)-9h-carbazole
CID 168431976

Frequently Asked Questions

What is the IUPAC name of benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene?
The IUPAC name of benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene (CID 158913563) is benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene.
What is the SMILES notation for benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene?
The canonical SMILES for benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1.
What is the InChIKey of benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene?
The InChIKey is JGYKFLJNJKQUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H11N.C12H8O.3C12H8S.9C7H8.5C6H6.2C5H5N.13C2H6.CH4/c4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;9*1-7-5-3-2-4-6-7;7*1-2-4-6-5-3-1;13*1-2;/h4*2-9H,1H3;4*1-8H;9*2-6H,1H3;5*1-6H;2*1-5H;13*1-2H3;1H4.
What are the key properties of benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene?
benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene has a molecular weight of 3230.93 g/mol, XLogP of 71.60, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dibenzofuran;tris(dibenzothiophene);ethane;methane;tetrakis(9-methylcarbazole);bis(pyridine);toluene is sourced from PubChem (CID 158913563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).