9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene

C43H52 — CID 59512850

IUPAC9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
SMILESCCC(C)CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CCC(C)CC)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C43H52/c1-8-29(5)22-24-42(10-3)38-15-13-12-14-34(38)36-20-17-32(27-40(36)42)33-18-21-37-35-19-16-31(7)26-39(35)43(11-4,41(37)28-33)25-23-30(6)9-2/h12-21,26-30H,8-11,22-25H2,1-7H3
InChIKeySTTXLJMEDKVKSZ-UHFFFAOYSA-N
MW568.89 g/mol
LogP12.67
Rot. Bonds11

About 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene

9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene (PubChem CID 59512850) has the molecular formula C43H52 and a molecular weight of 568.89 g/mol. Its IUPAC name is 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene.

Molecular Properties

Compound Name9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
PubChem CID59512850
Molecular FormulaC43H52
Molecular Weight568.89 g/mol
Exact Mass568.41
IUPAC Name9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene
SMILESCCC(C)CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CCC(C)CC)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C43H52/c1-8-29(5)22-24-42(10-3)38-15-13-12-14-34(38)36-20-17-32(27-40(36)42)33-18-21-37-35-19-16-31(7)26-39(35)43(11-4,41(37)28-33)25-23-30(6)9-2/h12-21,26-30H,8-11,22-25H2,1-7H3
InChIKeySTTXLJMEDKVKSZ-UHFFFAOYSA-N
XLogP12.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.89
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
2,7-dimethyl-9,9-bis(3-methylpentyl)fluorene
CID 59378942
2-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-bis(2-methylbutyl)-7-(7-methyl-9,9-dipropylfluoren-2-yl)fluorene
CID 23568230
2-[9,9-bis(2-methylbutyl)-7-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]fluoren-2-yl]-7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028080
2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
CID 58648648
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028071
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-[9,9-bis(3-methylbutyl)fluoren-2-yl]-7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-diethylfluorene
CID 59801302
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
CID 163799471

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene?
The IUPAC name of 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene (CID 59512850) is 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene.
What is the SMILES notation for 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene?
The canonical SMILES for 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene is CCC(C)CCC1(CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC)(CCC(C)CC)c3cc(C)ccc3-4)cc21.
What is the InChIKey of 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene?
The InChIKey is STTXLJMEDKVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52/c1-8-29(5)22-24-42(10-3)38-15-13-12-14-34(38)36-20-17-32(27-40(36)42)33-18-21-37-35-19-16-31(7)26-39(35)43(11-4,41(37)28-33)25-23-30(6)9-2/h12-21,26-30H,8-11,22-25H2,1-7H3.
What are the key properties of 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene?
9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene has a molecular weight of 568.89 g/mol, XLogP of 12.67, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-[9-ethyl-9-(3-methylpentyl)fluoren-2-yl]-7-methyl-9-(3-methylpentyl)fluorene is sourced from PubChem (CID 59512850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).