1-(3,5-dimethylphenyl)-9,9-diphenylfluorene

C33H26 — CID 159307684

IUPAC1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
SMILESCc1cc(C)cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C33H26/c1-23-20-24(2)22-25(21-23)28-17-11-18-30-29-16-9-10-19-31(29)33(32(28)30,26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-22H,1-2H3
InChIKeyXAUBSLNPVLNICI-UHFFFAOYSA-N
MW422.57 g/mol
LogP8.33
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene

1-(3,5-dimethylphenyl)-9,9-diphenylfluorene (PubChem CID 159307684) has the molecular formula C33H26 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
PubChem CID159307684
Molecular FormulaC33H26
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC Name1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
SMILESCc1cc(C)cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C33H26/c1-23-20-24(2)22-25(21-23)28-17-11-18-30-29-16-9-10-19-31(29)33(32(28)30,26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-22H,1-2H3
InChIKeyXAUBSLNPVLNICI-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene
CID 170522173
1-(4-bromophenyl)-9,9-diphenylfluorene
CID 172845574
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938931
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
1-fluoro-9,9-diphenylfluorene
CID 170080544
3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene?
The IUPAC name of 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene (CID 159307684) is 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene?
The canonical SMILES for 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene is Cc1cc(C)cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene?
The InChIKey is XAUBSLNPVLNICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26/c1-23-20-24(2)22-25(21-23)28-17-11-18-30-29-16-9-10-19-31(29)33(32(28)30,26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-22H,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene?
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene has a molecular weight of 422.57 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-9,9-diphenylfluorene is sourced from PubChem (CID 159307684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).