9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene

C196H170O4 — CID 159287894

IUPAC9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCC.CC.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc5c(c4)C(c4ccc(OC)cc4)(c4ccc(OC)cc4)c4cc(-c6c(-c7ccccc7)ccc(-c7ccccc7)c6-c6ccccc6)ccc4-5)c(-c4ccccc4)c3-c3ccccc3)cc21.COc1ccc(C2(c3ccc(OC)cc3)c3cc(-c4c(-c5ccccc5)ccc(-c5ccccc5)c4-c4ccccc4)ccc3-c3ccc(-c4c(-c5ccccc5)ccc(-c5ccccc5)c4-c4ccccc4)cc32)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C101H88O2.C75H54O2.C16H16.2C2H6/c1-6-8-10-30-62-100(63-31-11-9-7-2)91-64-69(3)44-56-85(91)86-57-45-76(65-92(86)100)90-68-89(72-36-22-14-23-37-72)98(99(75-42-28-17-29-43-75)96(90)74-40-26-16-27-41-74)78-47-59-88-87-58-46-77(66-93(87)101(94(88)67-78,79-48-52-81(102-4)53-49-79)80-50-54-82(103-5)55-51-80)97-84(71-34-20-13-21-35-71)61-60-83(70-32-18-12-19-33-70)95(97)73-38-24-15-25-39-73;1-76-61-39-35-59(36-40-61)75(60-37-41-62(77-2)42-38-60)69-49-57(73-65(53-25-13-5-14-26-53)47-45-63(51-21-9-3-10-22-51)71(73)55-29-17-7-18-30-55)33-43-67(69)68-44-34-58(50-70(68)75)74-66(54-27-15-6-16-28-54)48-46-64(52-23-11-4-12-24-52)72(74)56-31-19-8-20-32-56;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-2/h12-29,32-61,64-68H,6-11,30-31,62-63H2,1-5H3;3-50H,1-2H3;3-12H,1-2H3;2*1-2H3/b;;12-11+;;
InChIKeyKZSYZEBHCIATLU-SBMJHBKHSA-N
MW2589.51 g/mol
LogP53.51
Rot. Bonds37

About 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene

9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene (PubChem CID 159287894) has the molecular formula C196H170O4 and a molecular weight of 2589.51 g/mol. Its IUPAC name is 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
PubChem CID159287894
Molecular FormulaC196H170O4
Molecular Weight2589.51 g/mol
Exact Mass2587.31
IUPAC Name9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCC.CC.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc5c(c4)C(c4ccc(OC)cc4)(c4ccc(OC)cc4)c4cc(-c6c(-c7ccccc7)ccc(-c7ccccc7)c6-c6ccccc6)ccc4-5)c(-c4ccccc4)c3-c3ccccc3)cc21.COc1ccc(C2(c3ccc(OC)cc3)c3cc(-c4c(-c5ccccc5)ccc(-c5ccccc5)c4-c4ccccc4)ccc3-c3ccc(-c4c(-c5ccccc5)ccc(-c5ccccc5)c4-c4ccccc4)cc32)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C101H88O2.C75H54O2.C16H16.2C2H6/c1-6-8-10-30-62-100(63-31-11-9-7-2)91-64-69(3)44-56-85(91)86-57-45-76(65-92(86)100)90-68-89(72-36-22-14-23-37-72)98(99(75-42-28-17-29-43-75)96(90)74-40-26-16-27-41-74)78-47-59-88-87-58-46-77(66-93(87)101(94(88)67-78,79-48-52-81(102-4)53-49-79)80-50-54-82(103-5)55-51-80)97-84(71-34-20-13-21-35-71)61-60-83(70-32-18-12-19-33-70)95(97)73-38-24-15-25-39-73;1-76-61-39-35-59(36-40-61)75(60-37-41-62(77-2)42-38-60)69-49-57(73-65(53-25-13-5-14-26-53)47-45-63(51-21-9-3-10-22-51)71(73)55-29-17-7-18-30-55)33-43-67(69)68-44-34-58(50-70(68)75)74-66(54-27-15-6-16-28-54)48-46-64(52-23-11-4-12-24-52)72(74)56-31-19-8-20-32-56;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-2/h12-29,32-61,64-68H,6-11,30-31,62-63H2,1-5H3;3-50H,1-2H3;3-12H,1-2H3;2*1-2H3/b;;12-11+;;
InChIKeyKZSYZEBHCIATLU-SBMJHBKHSA-N
XLogP53.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds37
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002589.51
LogP ≤ 553.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene with MolForge

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Related Compounds

2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]triphenylene
CID 140686917
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
4-[(E)-2-[9,9-dihexyl-7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]fluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 102326993
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]pyrimidine
CID 118345693
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
[4-[46,51-diethyl-33-(4-methoxyphenyl)-15-methyl-36-(7-methyl-9,9-dioctylfluoren-2-yl)-17,38,41,46,49,51-hexazatridecacyclo[31.9.2.219,22.12,6.15,8.17,11.123,27.126,29.128,32.012,20.013,18.034,39.040,44]dopentaconta-1(43),2(52),3,5,7,9,11(50),13(18),14,16,19,21,23(47),24,26,28,30,32(45),34(39),35,37,40(44),41,48-tetracosaen-12-yl]phenyl]methanol
CID 159125816
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
6,6-bis(4-tert-butylphenyl)-8-methyl-2-(6-methylanthracen-2-yl)-12,12-dioctylindeno[1,2-b]fluorene
CID 123860863
9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
CID 123691695

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene (CID 159287894) is 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene is CC.CC.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc5c(c4)C(c4ccc(OC)cc4)(c4ccc(OC)cc4)c4cc(-c6c(-c7ccccc7)ccc(-c7ccccc7)c6-c6ccccc6)ccc4-5)c(-c4ccccc4)c3-c3ccccc3)cc21.COc1ccc(C2(c3ccc(OC)cc3)c3cc(-c4c(-c5ccccc5)ccc(-c5ccccc5)c4-c4ccccc4)ccc3-c3ccc(-c4c(-c5ccccc5)ccc(-c5ccccc5)c4-c4ccccc4)cc32)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is KZSYZEBHCIATLU-SBMJHBKHSA-N. The full InChI is InChI=1S/C101H88O2.C75H54O2.C16H16.2C2H6/c1-6-8-10-30-62-100(63-31-11-9-7-2)91-64-69(3)44-56-85(91)86-57-45-76(65-92(86)100)90-68-89(72-36-22-14-23-37-72)98(99(75-42-28-17-29-43-75)96(90)74-40-26-16-27-41-74)78-47-59-88-87-58-46-77(66-93(87)101(94(88)67-78,79-48-52-81(102-4)53-49-79)80-50-54-82(103-5)55-51-80)97-84(71-34-20-13-21-35-71)61-60-83(70-32-18-12-19-33-70)95(97)73-38-24-15-25-39-73;1-76-61-39-35-59(36-40-61)75(60-37-41-62(77-2)42-38-60)69-49-57(73-65(53-25-13-5-14-26-53)47-45-63(51-21-9-3-10-22-51)71(73)55-29-17-7-18-30-55)33-43-67(69)68-44-34-58(50-70(68)75)74-66(54-27-15-6-16-28-54)48-46-64(52-23-11-4-12-24-52)72(74)56-31-19-8-20-32-56;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;2*1-2/h12-29,32-61,64-68H,6-11,30-31,62-63H2,1-5H3;3-50H,1-2H3;3-12H,1-2H3;2*1-2H3/b;;12-11+;;.
What are the key properties of 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene?
9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 2589.51 g/mol, XLogP of 53.51, 37 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methoxyphenyl)-2,7-bis(2,3,6-triphenylphenyl)fluorene;2-[4-[9,9-bis(4-methoxyphenyl)-7-(2,3,6-triphenylphenyl)fluoren-2-yl]-2,3,5-triphenylphenyl]-9,9-dihexyl-7-methylfluorene;ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 159287894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).