1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene

C43H30F6 — CID 157086411

IUPAC1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene
SMILESCc1cc2c(c(-c3ccccc3C(c3ccccc3-c3cc(C)cc4c3Cc3ccccc3-4)(C(F)(F)F)C(F)(F)F)c1)Cc1ccccc1-2
InChIInChI=1S/C43H30F6/c1-25-19-33-29-13-5-3-11-27(29)23-37(33)35(21-25)31-15-7-9-17-39(31)41(42(44,45)46,43(47,48)49)40-18-10-8-16-32(40)36-22-26(2)20-34-30-14-6-4-12-28(30)24-38(34)36/h3-22H,23-24H2,1-2H3
InChIKeyAEDFINDRNWKDSR-UHFFFAOYSA-N
MW660.70 g/mol
LogP12.19
Rot. Bonds4

About 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene

1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene (PubChem CID 157086411) has the molecular formula C43H30F6 and a molecular weight of 660.70 g/mol. Its IUPAC name is 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene.

Molecular Properties

Compound Name1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene
PubChem CID157086411
Molecular FormulaC43H30F6
Molecular Weight660.70 g/mol
Exact Mass660.23
IUPAC Name1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene
SMILESCc1cc2c(c(-c3ccccc3C(c3ccccc3-c3cc(C)cc4c3Cc3ccccc3-4)(C(F)(F)F)C(F)(F)F)c1)Cc1ccccc1-2
InChIInChI=1S/C43H30F6/c1-25-19-33-29-13-5-3-11-27(29)23-37(33)35(21-25)31-15-7-9-17-39(31)41(42(44,45)46,43(47,48)49)40-18-10-8-16-32(40)36-22-26(2)20-34-30-14-6-4-12-28(30)24-38(34)36/h3-22H,23-24H2,1-2H3
InChIKeyAEDFINDRNWKDSR-UHFFFAOYSA-N
XLogP12.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.70
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene with MolForge

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Related Compounds

1,3-dimethyl-11,12-dihydroindeno[2,1-a]fluorene
CID 59147149
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1,3-ditert-butyl-9H-fluorene
CID 175163483
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
CID 141324145
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene
CID 151991768
9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
CID 143811504
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene?
The IUPAC name of 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene (CID 157086411) is 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene.
What is the SMILES notation for 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene?
The canonical SMILES for 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene is Cc1cc2c(c(-c3ccccc3C(c3ccccc3-c3cc(C)cc4c3Cc3ccccc3-4)(C(F)(F)F)C(F)(F)F)c1)Cc1ccccc1-2.
What is the InChIKey of 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene?
The InChIKey is AEDFINDRNWKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30F6/c1-25-19-33-29-13-5-3-11-27(29)23-37(33)35(21-25)31-15-7-9-17-39(31)41(42(44,45)46,43(47,48)49)40-18-10-8-16-32(40)36-22-26(2)20-34-30-14-6-4-12-28(30)24-38(34)36/h3-22H,23-24H2,1-2H3.
What are the key properties of 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene?
1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene has a molecular weight of 660.70 g/mol, XLogP of 12.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene is sourced from PubChem (CID 157086411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).