4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene

C32H30 — CID 123787852

IUPAC4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)Cc1cc(C)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C32H30/c1-20-14-15-28-25(17-20)23-10-6-9-13-27(23)32(28,5)19-22-16-21(2)18-29-30(22)24-11-7-8-12-26(24)31(29,3)4/h6-18H,19H2,1-5H3
InChIKeyCRNLNFJIEOPINB-UHFFFAOYSA-N
MW414.59 g/mol
LogP8.14
Rot. Bonds2

About 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene

4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene (PubChem CID 123787852) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene.

Molecular Properties

Compound Name4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
PubChem CID123787852
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)Cc1cc(C)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C32H30/c1-20-14-15-28-25(17-20)23-10-6-9-13-27(23)32(28,5)19-22-16-21(2)18-29-30(22)24-11-7-8-12-26(24)31(29,3)4/h6-18H,19H2,1-5H3
InChIKeyCRNLNFJIEOPINB-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
CID 123569803
4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]
CID 144939042
2,6,9,9-tetramethylfluorene
CID 23527438
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene
CID 123460123
9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene
CID 123751329
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
2,2,5,9,9,16,16-heptamethyltetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 177102314
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810

Frequently Asked Questions

What is the IUPAC name of 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene?
The IUPAC name of 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene (CID 123787852) is 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene.
What is the SMILES notation for 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene?
The canonical SMILES for 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene is Cc1ccc2c(c1)-c1ccccc1C2(C)Cc1cc(C)cc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene?
The InChIKey is CRNLNFJIEOPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30/c1-20-14-15-28-25(17-20)23-10-6-9-13-27(23)32(28,5)19-22-16-21(2)18-29-30(22)24-11-7-8-12-26(24)31(29,3)4/h6-18H,19H2,1-5H3.
What are the key properties of 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene?
4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene has a molecular weight of 414.59 g/mol, XLogP of 8.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene is sourced from PubChem (CID 123787852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).