9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene

C49H30F4 — CID 58142034

IUPAC9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
SMILESFc1cccc(-c2cc(-c3cccc(F)c3)cc(C3(c4cc(-c5cccc(F)c5)cc(-c5cccc(F)c5)c4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C49H30F4/c50-41-13-5-9-31(27-41)35-21-36(32-10-6-14-42(51)28-32)24-39(23-35)49(47-19-3-1-17-45(47)46-18-2-4-20-48(46)49)40-25-37(33-11-7-15-43(52)29-33)22-38(26-40)34-12-8-16-44(53)30-34/h1-30H
InChIKeyXGFHTMHSPYIYCC-UHFFFAOYSA-N
MW694.77 g/mol
LogP13.27
Rot. Bonds6

About 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene

9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene (PubChem CID 58142034) has the molecular formula C49H30F4 and a molecular weight of 694.77 g/mol. Its IUPAC name is 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
PubChem CID58142034
Molecular FormulaC49H30F4
Molecular Weight694.77 g/mol
Exact Mass694.23
IUPAC Name9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
SMILESFc1cccc(-c2cc(-c3cccc(F)c3)cc(C3(c4cc(-c5cccc(F)c5)cc(-c5cccc(F)c5)c4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C49H30F4/c50-41-13-5-9-31(27-41)35-21-36(32-10-6-14-42(51)28-32)24-39(23-35)49(47-19-3-1-17-45(47)46-18-2-4-20-48(46)49)40-25-37(33-11-7-15-43(52)29-33)22-38(26-40)34-12-8-16-44(53)30-34/h1-30H
InChIKeyXGFHTMHSPYIYCC-UHFFFAOYSA-N
XLogP13.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.77
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene
CID 135164405
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886282
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
CID 58142028
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
CID 161397608

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene?
The IUPAC name of 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene (CID 58142034) is 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene?
The canonical SMILES for 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene is Fc1cccc(-c2cc(-c3cccc(F)c3)cc(C3(c4cc(-c5cccc(F)c5)cc(-c5cccc(F)c5)c4)c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene?
The InChIKey is XGFHTMHSPYIYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30F4/c50-41-13-5-9-31(27-41)35-21-36(32-10-6-14-42(51)28-32)24-39(23-35)49(47-19-3-1-17-45(47)46-18-2-4-20-48(46)49)40-25-37(33-11-7-15-43(52)29-33)22-38(26-40)34-12-8-16-44(53)30-34/h1-30H.
What are the key properties of 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene?
9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene has a molecular weight of 694.77 g/mol, XLogP of 13.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene is sourced from PubChem (CID 58142034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).