2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene

C47H46 — CID 58986902

IUPAC2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c1-2
InChIInChI=1S/C47H46/c1-45(2,3)38-26-27-40-42(29-38)47(7,8)43-30-39(46(4,5)6)28-41(44(40)43)37-24-22-36(23-25-37)35-20-18-34(19-21-35)33-16-14-32(15-17-33)31-12-10-9-11-13-31/h9-30H,1-8H3
InChIKeyZJPFWXJDXXKWKY-UHFFFAOYSA-N
MW610.89 g/mol
LogP13.26
Rot. Bonds4

About 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene

2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene (PubChem CID 58986902) has the molecular formula C47H46 and a molecular weight of 610.89 g/mol. Its IUPAC name is 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
PubChem CID58986902
Molecular FormulaC47H46
Molecular Weight610.89 g/mol
Exact Mass610.36
IUPAC Name2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c1-2
InChIInChI=1S/C47H46/c1-45(2,3)38-26-27-40-42(29-38)47(7,8)43-30-39(46(4,5)6)28-41(44(40)43)37-24-22-36(23-25-37)35-20-18-34(19-21-35)33-16-14-32(15-17-33)31-12-10-9-11-13-31/h9-30H,1-8H3
InChIKeyZJPFWXJDXXKWKY-UHFFFAOYSA-N
XLogP13.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.89
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
CID 58986915
2-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511707
CID 59863416
CID 59863416
3-[6-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)naphthalen-2-yl]benzo[e]pyrene
CID 58454013
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene?
The IUPAC name of 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene (CID 58986902) is 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene.
What is the SMILES notation for 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene?
The canonical SMILES for 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)c1-2.
What is the InChIKey of 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene?
The InChIKey is ZJPFWXJDXXKWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46/c1-45(2,3)38-26-27-40-42(29-38)47(7,8)43-30-39(46(4,5)6)28-41(44(40)43)37-24-22-36(23-25-37)35-20-18-34(19-21-35)33-16-14-32(15-17-33)31-12-10-9-11-13-31/h9-30H,1-8H3.
What are the key properties of 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene?
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene has a molecular weight of 610.89 g/mol, XLogP of 13.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene is sourced from PubChem (CID 58986902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).