9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene

C33H30 — CID 153369732

IUPAC9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C(\C)c1ccccc1)c1cc(C)ccc1-c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C33H30/c1-22-18-19-26(30(20-22)24(3)21-23(2)25-12-7-6-8-13-25)28-15-11-16-29-27-14-9-10-17-31(27)33(4,5)32(28)29/h6-21H,3H2,1-2,4-5H3/b23-21+
InChIKeyZQRHYVSOFKUAPO-XTQSDGFTSA-N
MW426.60 g/mol
LogP9.09
Rot. Bonds4

About 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene

9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene (PubChem CID 153369732) has the molecular formula C33H30 and a molecular weight of 426.60 g/mol. Its IUPAC name is 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene
PubChem CID153369732
Molecular FormulaC33H30
Molecular Weight426.60 g/mol
Exact Mass426.23
IUPAC Name9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C(\C)c1ccccc1)c1cc(C)ccc1-c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C33H30/c1-22-18-19-26(30(20-22)24(3)21-23(2)25-12-7-6-8-13-25)28-15-11-16-29-27-14-9-10-17-31(27)33(4,5)32(28)29/h6-21H,3H2,1-2,4-5H3/b23-21+
InChIKeyZQRHYVSOFKUAPO-XTQSDGFTSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine
CID 123291128
9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153368874
2-(9,9-dimethylfluoren-1-yl)-4-methylpyridine
CID 156655026
ethane;ethene;3,11,11-trimethylindeno[2,1-a]phenanthrene
CID 144670692
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
5-chloro-2-(9,9-dimethylfluoren-1-yl)benzaldehyde;5-chloro-2-(9,9-dimethylfluoren-1-yl)benzoic acid
CID 159288888
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
CID 142303398
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene (CID 153369732) is 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene is C=C(/C=C(\C)c1ccccc1)c1cc(C)ccc1-c1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene?
The InChIKey is ZQRHYVSOFKUAPO-XTQSDGFTSA-N. The full InChI is InChI=1S/C33H30/c1-22-18-19-26(30(20-22)24(3)21-23(2)25-12-7-6-8-13-25)28-15-11-16-29-27-14-9-10-17-31(27)33(4,5)32(28)29/h6-21H,3H2,1-2,4-5H3/b23-21+.
What are the key properties of 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene?
9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene has a molecular weight of 426.60 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene is sourced from PubChem (CID 153369732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).