1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene

C28H22 — CID 13306900

IUPAC1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
SMILESCc1cccc2c1C(C1c3ccccc3-c3cccc(C)c31)c1ccccc1-2
InChIInChI=1S/C28H22/c1-17-9-7-15-21-19-11-3-5-13-23(19)27(25(17)21)28-24-14-6-4-12-20(24)22-16-8-10-18(2)26(22)28/h3-16,27-28H,1-2H3
InChIKeyPTXCPKDFMFLQDT-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.23
Rot. Bonds1

About 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene

1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene (PubChem CID 13306900) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene.

Molecular Properties

Compound Name1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
PubChem CID13306900
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
SMILESCc1cccc2c1C(C1c3ccccc3-c3cccc(C)c31)c1ccccc1-2
InChIInChI=1S/C28H22/c1-17-9-7-15-21-19-11-3-5-13-23(19)27(25(17)21)28-24-14-6-4-12-20(24)22-16-8-10-18(2)26(22)28/h3-16,27-28H,1-2H3
InChIKeyPTXCPKDFMFLQDT-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,9-dimethyl-9H-fluorene
CID 28227
9-ethyl-1-methyl-9H-fluorene
CID 15584367
(1-methyl-9H-fluoren-9-yl)boronic acid
CID 54300032
9-[2,5-dimethyl-4-(trideuteriomethyl)phenyl]-1-methyl-9H-fluorene
CID 167648969
1-(2,5-dimethylphenyl)-9H-fluoren-9-ol
CID 141056407
(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
CID 19978427
N-(1-methyl-9H-fluoren-9-yl)propanamide
CID 59907821
1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one
CID 59943597
(14S,15S)-14,15-dibromo-3-methyltetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 95240162
1,8-dimethyl-9H-fluorene-9-carbaldehyde
CID 174591685
(1R,2R,19R,20R)-1,2-dibromoundecacyclo[18.16.2.29,12.02,10.03,8.011,19.013,18.021,26.027,38.030,37.031,36]tetraconta-3,5,7,9,11,13,15,17,21,23,25,27(38),28,30(37),31,33,35,39-octadecaene
CID 134958993
1-tert-butyl-9H-fluoren-9-ol
CID 126502935

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene?
The IUPAC name of 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene (CID 13306900) is 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene.
What is the SMILES notation for 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene?
The canonical SMILES for 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene is Cc1cccc2c1C(C1c3ccccc3-c3cccc(C)c31)c1ccccc1-2.
What is the InChIKey of 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene?
The InChIKey is PTXCPKDFMFLQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-17-9-7-15-21-19-11-3-5-13-23(19)27(25(17)21)28-24-14-6-4-12-20(24)22-16-8-10-18(2)26(22)28/h3-16,27-28H,1-2H3.
What are the key properties of 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene?
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene has a molecular weight of 358.48 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene is sourced from PubChem (CID 13306900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).