2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene

C29H34O — CID 89442381

IUPAC2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3cc(C)cc(C(C)(C)C)c3OC)cc21
InChIInChI=1S/C29H34O/c1-8-29(9-2)24-13-11-10-12-21(24)22-15-14-20(18-25(22)29)23-16-19(3)17-26(27(23)30-7)28(4,5)6/h10-18H,8-9H2,1-7H3
InChIKeySFMVXSVPYCWAON-UHFFFAOYSA-N
MW398.59 g/mol
LogP8.05
Rot. Bonds4

About 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene

2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene (PubChem CID 89442381) has the molecular formula C29H34O and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene
PubChem CID89442381
Molecular FormulaC29H34O
Molecular Weight398.59 g/mol
Exact Mass398.26
IUPAC Name2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3cc(C)cc(C(C)(C)C)c3OC)cc21
InChIInChI=1S/C29H34O/c1-8-29(9-2)24-13-11-10-12-21(24)22-15-14-20(18-25(22)29)23-16-19(3)17-26(27(23)30-7)28(4,5)6/h10-18H,8-9H2,1-7H3
InChIKeySFMVXSVPYCWAON-UHFFFAOYSA-N
XLogP8.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
CID 20822293
2-tert-butyl-4-methyl-6-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]phenol;carbanide;titanium(3+)
CID 59270151
9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
CID 20822214
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
2-(3,5-dimethylphenyl)-10,10-diethyl-4-phenylindeno[1,2-g]quinoline
CID 138592606
3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene
CID 159430815
6,15,24-tris(9,9-diethylfluoren-2-yl)-9,9,18,18,21,21-hexaethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 102150204
9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene
CID 20821974
2,3,6,7-tetrakis[9,9-bis(trifluoromethyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59245644

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene?
The IUPAC name of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene (CID 89442381) is 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene?
The canonical SMILES for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene is CCC1(CC)c2ccccc2-c2ccc(-c3cc(C)cc(C(C)(C)C)c3OC)cc21.
What is the InChIKey of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene?
The InChIKey is SFMVXSVPYCWAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O/c1-8-29(9-2)24-13-11-10-12-21(24)22-15-14-20(18-25(22)29)23-16-19(3)17-26(27(23)30-7)28(4,5)6/h10-18H,8-9H2,1-7H3.
What are the key properties of 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene?
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene has a molecular weight of 398.59 g/mol, XLogP of 8.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene is sourced from PubChem (CID 89442381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).