6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene

C45H34 — CID 170533742

IUPAC6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2-c2c(-c3ccccc3)cc(-c3ccccc3)cc21
InChIInChI=1S/C45H34/c1-45(2)42-24-23-35(38-26-36(31-15-7-3-8-16-31)25-37(27-38)32-17-9-4-10-18-32)28-41(42)44-40(34-21-13-6-14-22-34)29-39(30-43(44)45)33-19-11-5-12-20-33/h3-30H,1-2H3
InChIKeyHVPBIFFTVVEVHE-UHFFFAOYSA-N
MW574.77 g/mol
LogP12.33
Rot. Bonds5

About 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene

6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene (PubChem CID 170533742) has the molecular formula C45H34 and a molecular weight of 574.77 g/mol. Its IUPAC name is 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene.

Molecular Properties

Compound Name6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene
PubChem CID170533742
Molecular FormulaC45H34
Molecular Weight574.77 g/mol
Exact Mass574.27
IUPAC Name6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2-c2c(-c3ccccc3)cc(-c3ccccc3)cc21
InChIInChI=1S/C45H34/c1-45(2)42-24-23-35(38-26-36(31-15-7-3-8-16-31)25-37(27-38)32-17-9-4-10-18-32)28-41(42)44-40(34-21-13-6-14-22-34)29-39(30-43(44)45)33-19-11-5-12-20-33/h3-30H,1-2H3
InChIKeyHVPBIFFTVVEVHE-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-[6'-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 142480512
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177079134
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
N-[4-(9,9-dimethyl-4-phenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 131994078
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene?
The IUPAC name of 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene (CID 170533742) is 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene.
What is the SMILES notation for 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene?
The canonical SMILES for 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene is CC1(C)c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2-c2c(-c3ccccc3)cc(-c3ccccc3)cc21.
What is the InChIKey of 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene?
The InChIKey is HVPBIFFTVVEVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34/c1-45(2)42-24-23-35(38-26-36(31-15-7-3-8-16-31)25-37(27-38)32-17-9-4-10-18-32)28-41(42)44-40(34-21-13-6-14-22-34)29-39(30-43(44)45)33-19-11-5-12-20-33/h3-30H,1-2H3.
What are the key properties of 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene?
6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene has a molecular weight of 574.77 g/mol, XLogP of 12.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene is sourced from PubChem (CID 170533742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).