9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene

C47H46O2 — CID 139335005

IUPAC9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene
SMILESCCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(C(C)(C)CC)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H46O2/c1-7-45(3,4)35-21-17-33(18-22-35)34-19-27-38(28-20-34)48-39-29-23-36(24-30-39)47(37-25-31-40(32-26-37)49-46(5,6)8-2)43-15-11-9-13-41(43)42-14-10-12-16-44(42)47/h9-32H,7-8H2,1-6H3
InChIKeySKBBVPHBMKZYBN-UHFFFAOYSA-N
MW642.88 g/mol
LogP12.76
Rot. Bonds10

About 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene

9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene (PubChem CID 139335005) has the molecular formula C47H46O2 and a molecular weight of 642.88 g/mol. Its IUPAC name is 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene.

Molecular Properties

Compound Name9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene
PubChem CID139335005
Molecular FormulaC47H46O2
Molecular Weight642.88 g/mol
Exact Mass642.35
IUPAC Name9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene
SMILESCCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(C(C)(C)CC)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H46O2/c1-7-45(3,4)35-21-17-33(18-22-35)34-19-27-38(28-20-34)48-39-29-23-36(24-30-39)47(37-25-31-40(32-26-37)49-46(5,6)8-2)43-15-11-9-13-41(43)42-14-10-12-16-44(42)47/h9-32H,7-8H2,1-6H3
InChIKeySKBBVPHBMKZYBN-UHFFFAOYSA-N
XLogP12.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.88
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene with MolForge

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Related Compounds

(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
CID 145044888
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
CID 71000391
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
[4-[4-[9-[4-[2-[4-(4-chlorobenzoyl)phenyl]propan-2-yloxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-(2-chlorobutan-2-yl)phenyl]methanone
CID 70667608
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 152900210
[4-[4-[9-[4-[2-[4-(4-chlorobenzoyl)phenyl]butan-2-yloxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-(2-chlorobutan-2-yl)phenyl]methanone
CID 66810064
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 166686240
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 158206936
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene?
The IUPAC name of 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene (CID 139335005) is 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene.
What is the SMILES notation for 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene?
The canonical SMILES for 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene is CCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(C(C)(C)CC)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene?
The InChIKey is SKBBVPHBMKZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46O2/c1-7-45(3,4)35-21-17-33(18-22-35)34-19-27-38(28-20-34)48-39-29-23-36(24-30-39)47(37-25-31-40(32-26-37)49-46(5,6)8-2)43-15-11-9-13-41(43)42-14-10-12-16-44(42)47/h9-32H,7-8H2,1-6H3.
What are the key properties of 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene?
9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene has a molecular weight of 642.88 g/mol, XLogP of 12.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-methylbutan-2-yloxy)phenyl]-9-[4-[4-[4-(2-methylbutan-2-yl)phenyl]phenoxy]phenyl]fluorene is sourced from PubChem (CID 139335005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).