9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene

C49H50 — CID 123568014

IUPAC9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene
SMILESCCCCc1ccc(-c2ccc(C3(c4ccc(-c5ccc(CCCC)cc5)cc4)c4cc(C)c(C)cc4-c4cc(C)c(C)cc43)cc2)cc1
InChIInChI=1S/C49H50/c1-7-9-11-37-13-17-39(18-14-37)41-21-25-43(26-22-41)49(44-27-23-42(24-28-44)40-19-15-38(16-20-40)12-10-8-2)47-31-35(5)33(3)29-45(47)46-30-34(4)36(6)32-48(46)49/h13-32H,7-12H2,1-6H3
InChIKeyJAVGTNLMOZHSFM-UHFFFAOYSA-N
MW638.94 g/mol
LogP13.30
Rot. Bonds10

About 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene

9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene (PubChem CID 123568014) has the molecular formula C49H50 and a molecular weight of 638.94 g/mol. Its IUPAC name is 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene.

Molecular Properties

Compound Name9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene
PubChem CID123568014
Molecular FormulaC49H50
Molecular Weight638.94 g/mol
Exact Mass638.39
IUPAC Name9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene
SMILESCCCCc1ccc(-c2ccc(C3(c4ccc(-c5ccc(CCCC)cc5)cc4)c4cc(C)c(C)cc4-c4cc(C)c(C)cc43)cc2)cc1
InChIInChI=1S/C49H50/c1-7-9-11-37-13-17-39(18-14-37)41-21-25-43(26-22-41)49(44-27-23-42(24-28-44)40-19-15-38(16-20-40)12-10-8-2)47-31-35(5)33(3)29-45(47)46-30-34(4)36(6)32-48(46)49/h13-32H,7-12H2,1-6H3
InChIKeyJAVGTNLMOZHSFM-UHFFFAOYSA-N
XLogP13.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.94
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

16,16-bis(4-butylphenyl)-8,12,20,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 162173298
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
CID 59480577
1-N,4-N-bis(4-butylphenyl)-1-N-[4-(2',3',6',7,7'-pentamethyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-4-N-[4-[2,3,6,7-tetramethyl-7'-(9-methyl-11,11,12,12-tetraoctylindeno[2,1-a]fluoren-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]benzene-1,4-diamine
CID 58668861
4-(4-butylphenyl)-2,6-dimethylpyrylium
CID 101036687
2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine
CID 58412099
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline
CID 141098766
9,9,18,18-tetrakis(4-hexylphenyl)-6,15-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 59383242

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene?
The IUPAC name of 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene (CID 123568014) is 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene.
What is the SMILES notation for 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene?
The canonical SMILES for 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene is CCCCc1ccc(-c2ccc(C3(c4ccc(-c5ccc(CCCC)cc5)cc4)c4cc(C)c(C)cc4-c4cc(C)c(C)cc43)cc2)cc1.
What is the InChIKey of 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene?
The InChIKey is JAVGTNLMOZHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50/c1-7-9-11-37-13-17-39(18-14-37)41-21-25-43(26-22-41)49(44-27-23-42(24-28-44)40-19-15-38(16-20-40)12-10-8-2)47-31-35(5)33(3)29-45(47)46-30-34(4)36(6)32-48(46)49/h13-32H,7-12H2,1-6H3.
What are the key properties of 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene?
9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene has a molecular weight of 638.94 g/mol, XLogP of 13.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene is sourced from PubChem (CID 123568014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).