bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene

C259H271NO2S2 — CID 165094908

IUPACbis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1(c2ccccc2)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C25H16.2C25H18.C22H20.C20H16.C18H13N.C15H14.2C12H8O.2C12H8S.3C7H8.10C4H10/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-3-11-19(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;1-16(2)22(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)22;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;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;3*1-7-5-3-2-4-6-7;10*1-4(2)3/h1-16H;2*1-18H;3-16H,1-2H3;2-14H,1H3;1-13H;3-10H,1-2H3;4*1-8H;3*2-6H,1H3;10*4H,1-3H3
InChIKeyXIFQEEFUHMCUOB-UHFFFAOYSA-N
MW3494.16 g/mol
LogP75.47
Rot. Bonds8

About bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene

bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene (PubChem CID 165094908) has the molecular formula C259H271NO2S2 and a molecular weight of 3494.16 g/mol. Its IUPAC name is bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene.

Molecular Properties

Compound Namebis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene
PubChem CID165094908
Molecular FormulaC259H271NO2S2
Molecular Weight3494.16 g/mol
Exact Mass3491.06
IUPAC Namebis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1(c2ccccc2)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C25H16.2C25H18.C22H20.C20H16.C18H13N.C15H14.2C12H8O.2C12H8S.3C7H8.10C4H10/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-3-11-19(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;1-16(2)22(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)22;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;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;3*1-7-5-3-2-4-6-7;10*1-4(2)3/h1-16H;2*1-18H;3-16H,1-2H3;2-14H,1H3;1-13H;3-10H,1-2H3;4*1-8H;3*2-6H,1H3;10*4H,1-3H3
InChIKeyXIFQEEFUHMCUOB-UHFFFAOYSA-N
XLogP75.47
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms264
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003494.16
LogP ≤ 575.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene with MolForge

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Related Compounds

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
2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
CID 161458351
1,1'-biphenyl;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;bis(N,N-diphenylaniline);9,9-diphenylfluorene;ethane;N-methyl-N-phenylaniline;naphthalene;9-phenylcarbazole;pyridine;bis(9-pyridin-3-ylcarbazole);9-pyridin-4-ylcarbazole;toluene
CID 165018509
benzene;cumene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;ethane;1,2,3,4,6,7-hexadeuterio-5-(2,3,5,6-tetradeuterio-4-propan-2-ylphenyl)naphthalene;hexakis(2-methylpropane);1,2,3,4,5-pentadeuterio-6-phenylbenzene;9-phenylcarbazole;toluene
CID 165041443
bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
CID 167619791
1-methoxy-2-methylbenzene;2-methyl-3-(2-methylphenyl)dibenzofuran;2-methyl-3-(2-methylphenyl)dibenzothiophene;2-methyl-3-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9,9-diphenylfluorene;3-methyl-2-(2-methylphenyl)-9-phenylcarbazole;2,9,9-trimethyl-3-(2-methylphenyl)fluorene;3,9,9-trimethyl-2-(2-methylphenyl)fluorene
CID 163577037
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 157101340
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine
CID 122462823
15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546032
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 165105589
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 162097761

Frequently Asked Questions

What is the IUPAC name of bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene?
The IUPAC name of bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene (CID 165094908) is bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene.
What is the SMILES notation for bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene?
The canonical SMILES for bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1(c2ccccc2)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(c2ccccc2)c2ccccc2-c2ccccc21.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene?
The InChIKey is XIFQEEFUHMCUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.2C25H18.C22H20.C20H16.C18H13N.C15H14.2C12H8O.2C12H8S.3C7H8.10C4H10/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-3-11-19(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;1-16(2)22(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)22;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;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;3*1-7-5-3-2-4-6-7;10*1-4(2)3/h1-16H;2*1-18H;3-16H,1-2H3;2-14H,1H3;1-13H;3-10H,1-2H3;4*1-8H;3*2-6H,1H3;10*4H,1-3H3.
What are the key properties of bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene?
bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene has a molecular weight of 3494.16 g/mol, XLogP of 75.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;bis(9,9-diphenylfluorene);9-methyl-9-phenylfluorene;decakis(2-methylpropane);9-phenylcarbazole;9-phenyl-9-propan-2-ylfluorene;9,9'-spirobi[fluorene];toluene is sourced from PubChem (CID 165094908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).