anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane

C385H514F6O4S2 — CID 157330684

IUPACanthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane
SMILESC1=CC2=CC=CC3=CC=CC(=C1)C23.C1CC2C3CCC(C3)C2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.CCC.COC.CS(C)(=O)=O.CSC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C20H14.C19H16.C18H20.2C14H10.C13H10.C10H16.3C10H8.19C7H8.2C6H6.C5H6F6.C5H12.C4H10.C3H6O.2C3H8.C2H6O2S.C2H6O.C2H6S.24C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-9-7-4-5-8(6-7)10(9)3-1;3*1-2-6-10-8-4-3-7-9(10)5-1;19*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-3(2)4;2*1-3-2;1-5(2,3)4;2*1-3-2;24*1-2/h1-18H;1-14H;1-15,19H;1-2,4-7,10-13H,3,8-9,14-15H2;2*1-10H;1-9,13H;7-10H,1-6H2;3*1-8H;19*2-6H,1H3;2*1-6H;1-2H3;1-4H3;4H,1-3H3;1-2H3;2*3H2,1-2H3;1-2H3;2*1-2H3;24*1-2H3
InChIKeyBFGCTXFOWRPVOY-UHFFFAOYSA-N
MW5384.47 g/mol
LogP121.03
Rot. Bonds8

About anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane

anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane (PubChem CID 157330684) has the molecular formula C385H514F6O4S2 and a molecular weight of 5384.47 g/mol. Its IUPAC name is anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Nameanthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane
PubChem CID157330684
Molecular FormulaC385H514F6O4S2
Molecular Weight5384.47 g/mol
Exact Mass5379.94
IUPAC Nameanthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane
SMILESC1=CC2=CC=CC3=CC=CC(=C1)C23.C1CC2C3CCC(C3)C2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.CCC.COC.CS(C)(=O)=O.CSC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C20H14.C19H16.C18H20.2C14H10.C13H10.C10H16.3C10H8.19C7H8.2C6H6.C5H6F6.C5H12.C4H10.C3H6O.2C3H8.C2H6O2S.C2H6O.C2H6S.24C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-9-7-4-5-8(6-7)10(9)3-1;3*1-2-6-10-8-4-3-7-9(10)5-1;19*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-3(2)4;2*1-3-2;1-5(2,3)4;2*1-3-2;24*1-2/h1-18H;1-14H;1-15,19H;1-2,4-7,10-13H,3,8-9,14-15H2;2*1-10H;1-9,13H;7-10H,1-6H2;3*1-8H;19*2-6H,1H3;2*1-6H;1-2H3;1-4H3;4H,1-3H3;1-2H3;2*3H2,1-2H3;1-2H3;2*1-2H3;24*1-2H3
InChIKeyBFGCTXFOWRPVOY-UHFFFAOYSA-N
XLogP121.03
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms397
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005384.47
LogP ≤ 5121.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane?
The IUPAC name of anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane (CID 157330684) is anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane?
The canonical SMILES for anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane is C1=CC2=CC=CC3=CC=CC(=C1)C23.C1CC2C3CCC(C3)C2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.CCC.COC.CS(C)(=O)=O.CSC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.
What is the InChIKey of anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane?
The InChIKey is BFGCTXFOWRPVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C20H14.C19H16.C18H20.2C14H10.C13H10.C10H16.3C10H8.19C7H8.2C6H6.C5H6F6.C5H12.C4H10.C3H6O.2C3H8.C2H6O2S.C2H6O.C2H6S.24C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-9-7-4-5-8(6-7)10(9)3-1;3*1-2-6-10-8-4-3-7-9(10)5-1;19*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-3(2)4;2*1-3-2;1-5(2,3)4;2*1-3-2;24*1-2/h1-18H;1-14H;1-15,19H;1-2,4-7,10-13H,3,8-9,14-15H2;2*1-10H;1-9,13H;7-10H,1-6H2;3*1-8H;19*2-6H,1H3;2*1-6H;1-2H3;1-4H3;4H,1-3H3;1-2H3;2*3H2,1-2H3;1-2H3;2*1-2H3;24*1-2H3.
What are the key properties of anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane?
anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane has a molecular weight of 5384.47 g/mol, XLogP of 121.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;benzhydrylbenzene;9bH-phenalene;2,2-dimethylpropane;9,9-diphenylfluorene;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;1-naphthalen-1-ylnaphthalene;phenanthrene;(1-phenylcyclohexyl)benzene;propane;propan-2-one;toluene;tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 157330684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).