3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol

C55H38O — CID 175617635

IUPAC3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
SMILESOc1cc(-c2ccccc2)cc(C2(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C55H38O/c56-50-36-47(40-20-8-3-9-21-40)35-49(37-50)55(53-28-12-10-26-51(53)52-27-11-13-29-54(52)55)48-33-45(43-24-14-22-41(30-43)38-16-4-1-5-17-38)32-46(34-48)44-25-15-23-42(31-44)39-18-6-2-7-19-39/h1-37,56H
InChIKeyMJNFFQSCGDTVQF-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.09
Rot. Bonds7

About 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol

3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol (PubChem CID 175617635) has the molecular formula C55H38O and a molecular weight of 714.91 g/mol. Its IUPAC name is 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol.

Molecular Properties

Compound Name3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
PubChem CID175617635
Molecular FormulaC55H38O
Molecular Weight714.91 g/mol
Exact Mass714.29
IUPAC Name3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
SMILESOc1cc(-c2ccccc2)cc(C2(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C55H38O/c56-50-36-47(40-20-8-3-9-21-40)35-49(37-50)55(53-28-12-10-26-51(53)52-27-11-13-29-54(52)55)48-33-45(43-24-14-22-41(30-43)38-16-4-1-5-17-38)32-46(34-48)44-25-15-23-42(31-44)39-18-6-2-7-19-39/h1-37,56H
InChIKeyMJNFFQSCGDTVQF-UHFFFAOYSA-N
XLogP14.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
CID 58142034
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
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
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
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
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 88886351
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol?
The IUPAC name of 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol (CID 175617635) is 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol.
What is the SMILES notation for 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol?
The canonical SMILES for 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol is Oc1cc(-c2ccccc2)cc(C2(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol?
The InChIKey is MJNFFQSCGDTVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38O/c56-50-36-47(40-20-8-3-9-21-40)35-49(37-50)55(53-28-12-10-26-51(53)52-27-11-13-29-54(52)55)48-33-45(43-24-14-22-41(30-43)38-16-4-1-5-17-38)32-46(34-48)44-25-15-23-42(31-44)39-18-6-2-7-19-39/h1-37,56H.
What are the key properties of 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol?
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol has a molecular weight of 714.91 g/mol, XLogP of 14.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol is sourced from PubChem (CID 175617635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).