9,9-bis[3-(3-phenylphenyl)phenyl]fluorene

C49H34 — CID 140873482

IUPAC9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
SMILESc1ccc(-c2cccc(-c3cccc(C4(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C49H34/c1-3-15-35(16-4-1)37-19-11-21-39(31-37)41-23-13-25-43(33-41)49(47-29-9-7-27-45(47)46-28-8-10-30-48(46)49)44-26-14-24-42(34-44)40-22-12-20-38(32-40)36-17-5-2-6-18-36/h1-34H
InChIKeyIUMPOVFOEPFWPH-UHFFFAOYSA-N
MW622.81 g/mol
LogP12.72
Rot. Bonds6

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

9,9-bis[3-(3-phenylphenyl)phenyl]fluorene (PubChem CID 140873482) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
PubChem CID140873482
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
SMILESc1ccc(-c2cccc(-c3cccc(C4(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C49H34/c1-3-15-35(16-4-1)37-19-11-21-39(31-37)41-23-13-25-43(33-41)49(47-29-9-7-27-45(47)46-28-8-10-30-48(46)49)44-26-14-24-42(34-44)40-22-12-20-38(32-40)36-17-5-2-6-18-36/h1-34H
InChIKeyIUMPOVFOEPFWPH-UHFFFAOYSA-N
XLogP12.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
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
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
3,9,9-triphenylfluorene
CID 140844354
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The IUPAC name of 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene (CID 140873482) is 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The canonical SMILES for 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene is c1ccc(-c2cccc(-c3cccc(C4(c5cccc(-c6cccc(-c7ccccc7)c6)c5)c5ccccc5-c5ccccc54)c3)c2)cc1.
What is the InChIKey of 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The InChIKey is IUMPOVFOEPFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-3-15-35(16-4-1)37-19-11-21-39(31-37)41-23-13-25-43(33-41)49(47-29-9-7-27-45(47)46-28-8-10-30-48(46)49)44-26-14-24-42(34-44)40-22-12-20-38(32-40)36-17-5-2-6-18-36/h1-34H.
What are the key properties of 9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene has a molecular weight of 622.81 g/mol, XLogP of 12.72, 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-(3-phenylphenyl)phenyl]fluorene is sourced from PubChem (CID 140873482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).