9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene

C33H26 — CID 58233535

IUPAC9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
SMILESCc1cccc(Cc2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C33H26/c1-24-11-9-12-25(21-24)22-26-13-10-16-28(23-26)33(27-14-3-2-4-15-27)31-19-7-5-17-29(31)30-18-6-8-20-32(30)33/h2-21,23H,22H2,1H3
InChIKeyQPXNQXLRRMLOED-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.95
Rot. Bonds4

About 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene

9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene (PubChem CID 58233535) has the molecular formula C33H26 and a molecular weight of 422.57 g/mol. Its IUPAC name is 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene.

Molecular Properties

Compound Name9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
PubChem CID58233535
Molecular FormulaC33H26
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC Name9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
SMILESCc1cccc(Cc2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C33H26/c1-24-11-9-12-25(21-24)22-26-13-10-16-28(23-26)33(27-14-3-2-4-15-27)31-19-7-5-17-29(31)30-18-6-8-20-32(30)33/h2-21,23H,22H2,1H3
InChIKeyQPXNQXLRRMLOED-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9,9-diphenylfluorene;propane
CID 158205050
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
CID 160693134
bis(acetonitrile);bis(9,9-diphenylfluorene);ethane;ethylbenzene;bis(1-ethyl-3,5-dimethylbenzene)
CID 162034367
benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,1'-biphenyl;1,3-dibenzylbenzene;1,4-dibenzylbenzene;9,9-diphenylfluorene;ethane;2-phenylpropan-2-ylbenzene
CID 160849970
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
9,9-diphenylfluorene;methoxymethane
CID 143139467

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene?
The IUPAC name of 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene (CID 58233535) is 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene.
What is the SMILES notation for 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene?
The canonical SMILES for 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene is Cc1cccc(Cc2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene?
The InChIKey is QPXNQXLRRMLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26/c1-24-11-9-12-25(21-24)22-26-13-10-16-28(23-26)33(27-14-3-2-4-15-27)31-19-7-5-17-29(31)30-18-6-8-20-32(30)33/h2-21,23H,22H2,1H3.
What are the key properties of 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene?
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene has a molecular weight of 422.57 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene is sourced from PubChem (CID 58233535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).