1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene

C209H265F6N7O5 — CID 159828601

IUPAC1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(OCCOc2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccncc1.c1ccncc1.c1ccncc1.c1cncc(-c2cccc(-c3cccnc3)c2)c1
InChIInChI=1S/C25H16.C18H13N.C18H14.C17H14F6O2.C16H12N2.C14H14O2.C12H8O.C12H10.C11H9N.C7H8.3C5H5N.22C2H6/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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-4-13(15-6-2-8-17-11-15)10-14(5-1)16-7-3-9-18-12-16;1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;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;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;22*1-2/h1-16H;1-13H;1-14H;3-10H,1-2H3;1-12H;1-10H,11-12H2;1-8H;1-10H;1-9H;2-6H,1H3;3*1-5H;22*1-2H3
InChIKeyNNDXJUIVORZQEZ-UHFFFAOYSA-N
MW3069.45 g/mol
LogP65.41
Rot. Bonds16

About 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene

1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene (PubChem CID 159828601) has the molecular formula C209H265F6N7O5 and a molecular weight of 3069.45 g/mol. Its IUPAC name is 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene.

Molecular Properties

Compound Name1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
PubChem CID159828601
Molecular FormulaC209H265F6N7O5
Molecular Weight3069.45 g/mol
Exact Mass3067.06
IUPAC Name1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(OCCOc2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccncc1.c1ccncc1.c1ccncc1.c1cncc(-c2cccc(-c3cccnc3)c2)c1
InChIInChI=1S/C25H16.C18H13N.C18H14.C17H14F6O2.C16H12N2.C14H14O2.C12H8O.C12H10.C11H9N.C7H8.3C5H5N.22C2H6/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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-4-13(15-6-2-8-17-11-15)10-14(5-1)16-7-3-9-18-12-16;1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;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;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;22*1-2/h1-16H;1-13H;1-14H;3-10H,1-2H3;1-12H;1-10H,11-12H2;1-8H;1-10H;1-9H;2-6H,1H3;3*1-5H;22*1-2H3
InChIKeyNNDXJUIVORZQEZ-UHFFFAOYSA-N
XLogP65.41
TPSA132.33 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003069.45
LogP ≤ 565.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene with MolForge

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Related Compounds

2-[3-Dibenzofuran-4-yl-4-[2-[3-[2-[2-dibenzofuran-4-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319870
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319985
2-[3-Dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153320037
CID 154600612
CID 154600612
2-(7,7-dimethyl-2H-fluoreno[4,3-b][1]benzofuran-2-id-1-yl)pyridine;2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonic acid
CID 157099393
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422
8-(1-cyclopentylethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(2H-dibenzofuran-2-id-3-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;4-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-7-fluorobenzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
CID 157731989
5-Tert-butyl-17,17-dimethyl-9-pyridin-3-yl-9-aza-17-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),18,20,22,25,27-tetradecaene;5-tert-butyl-17,17-dimethyl-13-(2,4,6-trimethylphenyl)-9-oxa-17-silaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1,3(8),4,6,10,12,14,16(24),18,20,22,25,27,29-tetradecaene;2,6-dimethyl-4-(9,9,17,17-tetrafluoro-27-octacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaenyl)pyridine
CID 157840023
6-Cyclopentyl-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium
CID 157966331
3,7-ditert-butyldibenzofuran;2,7-ditert-butyl-9,9-difluorofluorene;2,7-ditert-butyl-9H-fluorene;3,10-ditert-butyl-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine
CID 158197145
1,1'-Biphenyl;3,5-bis(3-methoxyphenyl)pyridine;dibenzofuran;1,2-dimethoxyethane;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;3-(3-phenylphenyl)pyridine;pyridine;3-pyridin-3-ylpyridine
CID 158259632
5-Cyclopentyl-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylquinolin-1-ium;5-(cyclopentylmethyl)-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylquinolin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylpropyl)quinolin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-1-ium
CID 158522236

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene?
The IUPAC name of 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene (CID 159828601) is 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene.
What is the SMILES notation for 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene?
The canonical SMILES for 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(OCCOc2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccncc1.c1ccncc1.c1ccncc1.c1cncc(-c2cccc(-c3cccnc3)c2)c1.
What is the InChIKey of 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene?
The InChIKey is NNDXJUIVORZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C18H13N.C18H14.C17H14F6O2.C16H12N2.C14H14O2.C12H8O.C12H10.C11H9N.C7H8.3C5H5N.22C2H6/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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-4-13(15-6-2-8-17-11-15)10-14(5-1)16-7-3-9-18-12-16;1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;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;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;22*1-2/h1-16H;1-13H;1-14H;3-10H,1-2H3;1-12H;1-10H,11-12H2;1-8H;1-10H;1-9H;2-6H,1H3;3*1-5H;22*1-2H3.
What are the key properties of 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene?
1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene has a molecular weight of 3069.45 g/mol, XLogP of 65.41, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene is sourced from PubChem (CID 159828601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).