9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene

C55H40 — CID 5245902

IUPAC9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2CC1(CC2(CC3c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H40/c1-5-21-40-36(17-1)37-18-2-6-22-41(37)48(40)33-54(50-29-13-9-25-44(50)45-26-10-14-30-51(45)54)35-55(52-31-15-11-27-46(52)47-28-12-16-32-53(47)55)34-49-42-23-7-3-19-38(42)39-20-4-8-24-43(39)49/h1-32,48-49H,33-35H2
InChIKeyDZHXSLVYZJJOQU-UHFFFAOYSA-N
MW700.93 g/mol
LogP13.72
Rot. Bonds6

About 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene

9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene (PubChem CID 5245902) has the molecular formula C55H40 and a molecular weight of 700.93 g/mol. Its IUPAC name is 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene.

Molecular Properties

Compound Name9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene
PubChem CID5245902
Molecular FormulaC55H40
Molecular Weight700.93 g/mol
Exact Mass700.31
IUPAC Name9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2CC1(CC2(CC3c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H40/c1-5-21-40-36(17-1)37-18-2-6-22-41(37)48(40)33-54(50-29-13-9-25-44(50)45-26-10-14-30-51(45)54)35-55(52-31-15-11-27-46(52)47-28-12-16-32-53(47)55)34-49-42-23-7-3-19-38(42)39-20-4-8-24-43(39)49/h1-32,48-49H,33-35H2
InChIKeyDZHXSLVYZJJOQU-UHFFFAOYSA-N
XLogP13.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.93
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene with MolForge

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Related Compounds

Decacyclene
CID 67448
9,9-Diphenylfluorene
CID 413569
9,9'-Bifluorene
CID 137063
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
(R)-Xyl-SDP
CID 11309256
Truxene
CID 68355
2,2'':7'',2''''-Ter-9,9'-spirobi(9H-fluorene)
CID 53384287
2-phenyl-1,2''-spirobi[1H-indene]
CID 22600576
9,9'-Spirobi(9H-fluorene)
CID 135975
Fluorene, 9-(diphenylmethylene)-
CID 238872
Isotruxene
CID 519436
2,2',7,7'-Tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 16158722

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene?
The IUPAC name of 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene (CID 5245902) is 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene.
What is the SMILES notation for 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene?
The canonical SMILES for 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene is c1ccc2c(c1)-c1ccccc1C2CC1(CC2(CC3c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene?
The InChIKey is DZHXSLVYZJJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40/c1-5-21-40-36(17-1)37-18-2-6-22-41(37)48(40)33-54(50-29-13-9-25-44(50)45-26-10-14-30-51(45)54)35-55(52-31-15-11-27-46(52)47-28-12-16-32-53(47)55)34-49-42-23-7-3-19-38(42)39-20-4-8-24-43(39)49/h1-32,48-49H,33-35H2.
What are the key properties of 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene?
9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene has a molecular weight of 700.93 g/mol, XLogP of 13.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene is sourced from PubChem (CID 5245902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).