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

C364H456N2O3S2 — CID 157379645

IUPACanthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];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.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.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)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1
InChIInChI=1S/C25H18.C24H18.C20H16.C18H13N.C18H12.C18H14.C17H16.C16H10.C15H14.2C14H10.2C12H8O.2C12H8S.C12H10.C10H8.C6H6.C5H5N.C4H4O.40C2H6/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;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;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;4*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;2*1-2-4-6-5-3-1;1-2-4-5-3-1;40*1-2/h1-18H;1-18H;2-14H,1H3;1-13H;1-12H;1-14H;1-4,7-10H,5-6,11-12H2;1-10H;3-10H,1-2H3;2*1-10H;4*1-8H;1-10H;1-8H;1-6H;1-5H;1-4H;40*1-2H3
InChIKeyBKSNXFGNQICZBR-UHFFFAOYSA-N
MW4971.80 g/mol
LogP120.37
Rot. Bonds10

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

anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene (PubChem CID 157379645) has the molecular formula C364H456N2O3S2 and a molecular weight of 4971.80 g/mol. Its IUPAC name is anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene.

Molecular Properties

Compound Nameanthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene
PubChem CID157379645
Molecular FormulaC364H456N2O3S2
Molecular Weight4971.80 g/mol
Exact Mass4967.50
IUPAC Nameanthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];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.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.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)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1
InChIInChI=1S/C25H18.C24H18.C20H16.C18H13N.C18H12.C18H14.C17H16.C16H10.C15H14.2C14H10.2C12H8O.2C12H8S.C12H10.C10H8.C6H6.C5H5N.C4H4O.40C2H6/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;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;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;4*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;2*1-2-4-6-5-3-1;1-2-4-5-3-1;40*1-2/h1-18H;1-18H;2-14H,1H3;1-13H;1-12H;1-14H;1-4,7-10H,5-6,11-12H2;1-10H;3-10H,1-2H3;2*1-10H;4*1-8H;1-10H;1-8H;1-6H;1-5H;1-4H;40*1-2H3
InChIKeyBKSNXFGNQICZBR-UHFFFAOYSA-N
XLogP120.37
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms371
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004971.80
LogP ≤ 5120.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
2-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;2-bis(4-fluorophenyl)phosphoryltriphenylene;2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-2-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-2-yl)phosphoryl]dibenzothiophene;diphenyl-sulfanylidene-triphenylen-2-yl-lambda5-phosphane;2-[1,10-phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-2-ylphosphoryl]carbazole
CID 157683743
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
8-[[6-([1]Benzothiolo[3,2-c]pyridin-8-yloxymethyl)-2,8-bis[4-[(4-carbazol-9-yl-2-pyridinyl)methyl]-2,6-dimethylphenyl]dibenzofuran-4-yl]methoxy]-[1]benzothiolo[3,2-c]pyridine
CID 58501578
8-[15,15-Bis(1-benzofuran-2-yl)-22-(1-benzothiophen-2-yl)-5,5,25,25-tetramethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]quinoline
CID 59413470
3-Dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 71278025
6-(4-Dibenzofuran-1-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 89850164
8-[3-(3-Dibenzofuran-4-ylphenyl)carbazol-9-yl]-[1]benzothiolo[3,2-c]pyridine
CID 89850185
6-[3-(5-Dibenzofuran-2-ylthiophen-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 89850191
6-[2-(Dibenzofuran-1-ylmethyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 89850198

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene?
The IUPAC name of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene (CID 157379645) is anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene.
What is the SMILES notation for anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene?
The canonical SMILES for anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];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.CC.CC.CC.CC.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.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)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.
What is the InChIKey of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene?
The InChIKey is BKSNXFGNQICZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C24H18.C20H16.C18H13N.C18H12.C18H14.C17H16.C16H10.C15H14.2C14H10.2C12H8O.2C12H8S.C12H10.C10H8.C6H6.C5H5N.C4H4O.40C2H6/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;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;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;4*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;2*1-2-4-6-5-3-1;1-2-4-5-3-1;40*1-2/h1-18H;1-18H;2-14H,1H3;1-13H;1-12H;1-14H;1-4,7-10H,5-6,11-12H2;1-10H;3-10H,1-2H3;2*1-10H;4*1-8H;1-10H;1-8H;1-6H;1-5H;1-4H;40*1-2H3.
What are the key properties of anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene?
anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene has a molecular weight of 4971.80 g/mol, XLogP of 120.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;benzene;1,1'-biphenyl;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;1,4-diphenylbenzene;9,9-diphenylfluorene;ethane;furan;9-methyl-9-phenylfluorene;naphthalene;phenanthrene;9-phenylcarbazole;1-phenyl-4-(4-phenylphenyl)benzene;pyrene;pyridine;spiro[cyclopentane-1,9'-fluorene];triphenylene is sourced from PubChem (CID 157379645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).