9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene

C36H30 — CID 86051025

IUPAC9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
SMILESCC1(Cc2ccc(CC3(C)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H30/c1-35(31-15-7-3-11-27(31)28-12-4-8-16-32(28)35)23-25-19-21-26(22-20-25)24-36(2)33-17-9-5-13-29(33)30-14-6-10-18-34(30)36/h3-22H,23-24H2,1-2H3
InChIKeyBBWJCMVKYXWRNP-UHFFFAOYSA-N
MW462.64 g/mol
LogP8.74
Rot. Bonds4

About 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene

9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene (PubChem CID 86051025) has the molecular formula C36H30 and a molecular weight of 462.64 g/mol. Its IUPAC name is 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene.

Molecular Properties

Compound Name9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
PubChem CID86051025
Molecular FormulaC36H30
Molecular Weight462.64 g/mol
Exact Mass462.23
IUPAC Name9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
SMILESCC1(Cc2ccc(CC3(C)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H30/c1-35(31-15-7-3-11-27(31)28-12-4-8-16-32(28)35)23-25-19-21-26(22-20-25)24-36(2)33-17-9-5-13-29(33)30-14-6-10-18-34(30)36/h3-22H,23-24H2,1-2H3
InChIKeyBBWJCMVKYXWRNP-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene with MolForge

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Related Compounds

9-methyl-9-propylfluorene
CID 13283188
6,12-diethyl-6,12-dimethylindeno[1,2-b]fluorene
CID 144770955
2-[9,9-bis(naphthalen-2-ylmethyl)fluoren-2-yl]-9,9-dimethyl-7-[9-methyl-9-(naphthalen-2-ylmethyl)fluoren-2-yl]fluorene
CID 163497732
6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
CID 155763593
9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene
CID 175187647
dichloro-methyl-[2-(9-methylfluoren-9-yl)ethyl]silane
CID 22104612
ethane;9-fluoro-9-methylfluorene
CID 163249751
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
methane;9-methylfluoren-9-ol
CID 160708378
2-[[9-[[4-[[9-(oxiran-2-ylmethyl)fluoren-9-yl]methyl]phenyl]methyl]fluoren-9-yl]methyl]oxirane
CID 118344155

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene?
The IUPAC name of 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene (CID 86051025) is 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene.
What is the SMILES notation for 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene?
The canonical SMILES for 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene is CC1(Cc2ccc(CC3(C)c4ccccc4-c4ccccc43)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene?
The InChIKey is BBWJCMVKYXWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30/c1-35(31-15-7-3-11-27(31)28-12-4-8-16-32(28)35)23-25-19-21-26(22-20-25)24-36(2)33-17-9-5-13-29(33)30-14-6-10-18-34(30)36/h3-22H,23-24H2,1-2H3.
What are the key properties of 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene?
9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene has a molecular weight of 462.64 g/mol, XLogP of 8.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene is sourced from PubChem (CID 86051025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).