9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene

C39H46O — CID 163998765

IUPAC9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene
SMILESCCC(C)(C)c1ccc2c(c1)C(c1ccc(C)c(C)c1)(c1ccc(OC)c(C)c1)c1cc(C(C)(C)CC)ccc1-2
InChIInChI=1S/C39H46O/c1-11-37(6,7)28-15-18-32-33-19-16-29(38(8,9)12-2)24-35(33)39(34(32)23-28,30-14-13-25(3)26(4)21-30)31-17-20-36(40-10)27(5)22-31/h13-24H,11-12H2,1-10H3
InChIKeyUHBHCEPVGGNTKD-UHFFFAOYSA-N
MW530.80 g/mol
LogP10.36
Rot. Bonds7

About 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene

9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene (PubChem CID 163998765) has the molecular formula C39H46O and a molecular weight of 530.80 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene
PubChem CID163998765
Molecular FormulaC39H46O
Molecular Weight530.80 g/mol
Exact Mass530.35
IUPAC Name9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene
SMILESCCC(C)(C)c1ccc2c(c1)C(c1ccc(C)c(C)c1)(c1ccc(OC)c(C)c1)c1cc(C(C)(C)CC)ccc1-2
InChIInChI=1S/C39H46O/c1-11-37(6,7)28-15-18-32-33-19-16-29(38(8,9)12-2)24-35(33)39(34(32)23-28,30-14-13-25(3)26(4)21-30)31-17-20-36(40-10)27(5)22-31/h13-24H,11-12H2,1-10H3
InChIKeyUHBHCEPVGGNTKD-UHFFFAOYSA-N
XLogP10.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.80
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene with MolForge

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Related Compounds

9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene
CID 126703321
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene
CID 167577887
2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene
CID 143642284
2-methyl-4-(2-methylbutan-2-yl)-1-(1,1,2,2-tetrafluoro-3,3-dimethylbutoxy)benzene
CID 146437484
1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117410551
9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene?
The IUPAC name of 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene (CID 163998765) is 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene?
The canonical SMILES for 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene is CCC(C)(C)c1ccc2c(c1)C(c1ccc(C)c(C)c1)(c1ccc(OC)c(C)c1)c1cc(C(C)(C)CC)ccc1-2.
What is the InChIKey of 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene?
The InChIKey is UHBHCEPVGGNTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46O/c1-11-37(6,7)28-15-18-32-33-19-16-29(38(8,9)12-2)24-35(33)39(34(32)23-28,30-14-13-25(3)26(4)21-30)31-17-20-36(40-10)27(5)22-31/h13-24H,11-12H2,1-10H3.
What are the key properties of 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene?
9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene has a molecular weight of 530.80 g/mol, XLogP of 10.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene is sourced from PubChem (CID 163998765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).