1-[3-(3-methylphenyl)phenyl]-9H-fluorene

C52H40 — CID 159755340

IUPAC1-[3-(3-methylphenyl)phenyl]-9H-fluorene
SMILESCc1cccc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c1.Cc1cccc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c1
InChIInChI=1S/2C26H20/c2*1-18-7-4-9-19(15-18)20-10-5-11-21(16-20)24-13-6-14-25-23-12-3-2-8-22(23)17-26(24)25/h2*2-16H,17H2,1H3
InChIKeyNEEMFIAVSDDXQP-UHFFFAOYSA-N
MW664.89 g/mol
LogP13.80
Rot. Bonds4

About 1-[3-(3-methylphenyl)phenyl]-9H-fluorene

1-[3-(3-methylphenyl)phenyl]-9H-fluorene (PubChem CID 159755340) has the molecular formula C52H40 and a molecular weight of 664.89 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)phenyl]-9H-fluorene
PubChem CID159755340
Molecular FormulaC52H40
Molecular Weight664.89 g/mol
Exact Mass664.31
IUPAC Name1-[3-(3-methylphenyl)phenyl]-9H-fluorene
SMILESCc1cccc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c1.Cc1cccc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c1
InChIInChI=1S/2C26H20/c2*1-18-7-4-9-19(15-18)20-10-5-11-21(16-20)24-13-6-14-25-23-12-3-2-8-22(23)17-26(24)25/h2*2-16H,17H2,1H3
InChIKeyNEEMFIAVSDDXQP-UHFFFAOYSA-N
XLogP13.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.89
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
CID 143811504
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
ethane;1-(2-methylphenyl)-9H-fluorene;1-(3-methylphenyl)-9H-fluorene;1-methyl-8-phenyl-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;3-(2-methylphenyl)-9H-fluorene;3-(3-methylphenyl)-9H-fluorene;6-methyl-1-phenyl-9H-fluorene
CID 163579670
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
2-(9H-fluoren-1-yl)anthracene
CID 151119003
3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 134393989
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)phenyl]-9H-fluorene?
The IUPAC name of 1-[3-(3-methylphenyl)phenyl]-9H-fluorene (CID 159755340) is 1-[3-(3-methylphenyl)phenyl]-9H-fluorene.
What is the SMILES notation for 1-[3-(3-methylphenyl)phenyl]-9H-fluorene?
The canonical SMILES for 1-[3-(3-methylphenyl)phenyl]-9H-fluorene is Cc1cccc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c1.Cc1cccc(-c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)phenyl]-9H-fluorene?
The InChIKey is NEEMFIAVSDDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20/c2*1-18-7-4-9-19(15-18)20-10-5-11-21(16-20)24-13-6-14-25-23-12-3-2-8-22(23)17-26(24)25/h2*2-16H,17H2,1H3.
What are the key properties of 1-[3-(3-methylphenyl)phenyl]-9H-fluorene?
1-[3-(3-methylphenyl)phenyl]-9H-fluorene has a molecular weight of 664.89 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)phenyl]-9H-fluorene is sourced from PubChem (CID 159755340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).