anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)

C357H429NOS — CID 162174298

IUPACanthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)
SMILESCC.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.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H18.C24H18.C20H16.C18H13N.2C18H12.C18H14.C17H16.2C16H10.C15H14.2C14H10.C12H8O.C12H8S.C12H10.C10H8.C6H6.36C2H6/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;1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17;2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;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;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;36*1-2/h1-18H;1-18H;2-14H,1H3;1-13H;2*1-12H;1-14H;1-4,7-10H,5-6,11-12H2;2*1-10H;3-10H,1-2H3;2*1-10H;2*1-8H;1-10H;1-8H;1-6H;36*1-2H3
InChIKeyZOELUAXJYZOVCP-UHFFFAOYSA-N
MW4782.43 g/mol
LogP115.99
Rot. Bonds10

About anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)

anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene) (PubChem CID 162174298) has the molecular formula C357H429NOS and a molecular weight of 4782.43 g/mol. Its IUPAC name is anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene).

Molecular Properties

Compound Nameanthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)
PubChem CID162174298
Molecular FormulaC357H429NOS
Molecular Weight4782.43 g/mol
Exact Mass4778.33
IUPAC Nameanthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)
SMILESCC.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.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C25H18.C24H18.C20H16.C18H13N.2C18H12.C18H14.C17H16.2C16H10.C15H14.2C14H10.C12H8O.C12H8S.C12H10.C10H8.C6H6.36C2H6/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;1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17;2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;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;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;36*1-2/h1-18H;1-18H;2-14H,1H3;1-13H;2*1-12H;1-14H;1-4,7-10H,5-6,11-12H2;2*1-10H;3-10H,1-2H3;2*1-10H;2*1-8H;1-10H;1-8H;1-6H;36*1-2H3
InChIKeyZOELUAXJYZOVCP-UHFFFAOYSA-N
XLogP115.99
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms360
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004782.43
LogP ≤ 5115.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)?
The IUPAC name of anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene) (CID 162174298) is anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene).
What is the SMILES notation for anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)?
The canonical SMILES for anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene) is 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.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21CCCC1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)?
The InChIKey is ZOELUAXJYZOVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C24H18.C20H16.C18H13N.2C18H12.C18H14.C17H16.2C16H10.C15H14.2C14H10.C12H8O.C12H8S.C12H10.C10H8.C6H6.36C2H6/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;1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20;1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-3-9-15-13(7-1)14-8-2-4-10-16(14)17(15)11-5-6-12-17;2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;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;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;36*1-2/h1-18H;1-18H;2-14H,1H3;1-13H;2*1-12H;1-14H;1-4,7-10H,5-6,11-12H2;2*1-10H;3-10H,1-2H3;2*1-10H;2*1-8H;1-10H;1-8H;1-6H;36*1-2H3.
What are the key properties of anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene)?
anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene) has a molecular weight of 4782.43 g/mol, XLogP of 115.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;spiro[cyclopentane-1,9'-fluorene];bis(triphenylene) is sourced from PubChem (CID 162174298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).