9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene

C39H34 — CID 153368874

IUPAC9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C\C)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)c(-c2cc(C)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C39H34/c1-6-13-27(3)29-20-21-32(34-17-12-18-35-33-16-10-11-19-37(33)39(4,5)38(34)35)36(25-29)31-23-26(2)22-30(24-31)28-14-8-7-9-15-28/h6-25H,3H2,1-2,4-5H3/b13-6-
InChIKeyVHNUOIZWPAKNQI-MLPAPPSSSA-N
MW502.70 g/mol
LogP10.89
Rot. Bonds5

About 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene

9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene (PubChem CID 153368874) has the molecular formula C39H34 and a molecular weight of 502.70 g/mol. Its IUPAC name is 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
PubChem CID153368874
Molecular FormulaC39H34
Molecular Weight502.70 g/mol
Exact Mass502.27
IUPAC Name9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
SMILESC=C(/C=C\C)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)c(-c2cc(C)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C39H34/c1-6-13-27(3)29-20-21-32(34-17-12-18-35-33-16-10-11-19-37(33)39(4,5)38(34)35)36(25-29)31-23-26(2)22-30(24-31)28-14-8-7-9-15-28/h6-25H,3H2,1-2,4-5H3/b13-6-
InChIKeyVHNUOIZWPAKNQI-MLPAPPSSSA-N
XLogP10.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 510.89
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

9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
9,9-dimethyl-4-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369615
2-(9,9-dimethylfluoren-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 126544515
2-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]
CID 144925252
1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266577
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
9,9-dimethyl-1-[4-methyl-2-[(3E)-4-phenylpenta-1,3-dien-2-yl]phenyl]fluorene
CID 153369732
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene (CID 153368874) is 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene is C=C(/C=C\C)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)c(-c2cc(C)cc(-c3ccccc3)c2)c1.
What is the InChIKey of 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
The InChIKey is VHNUOIZWPAKNQI-MLPAPPSSSA-N. The full InChI is InChI=1S/C39H34/c1-6-13-27(3)29-20-21-32(34-17-12-18-35-33-16-10-11-19-37(33)39(4,5)38(34)35)36(25-29)31-23-26(2)22-30(24-31)28-14-8-7-9-15-28/h6-25H,3H2,1-2,4-5H3/b13-6-.
What are the key properties of 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene?
9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene has a molecular weight of 502.70 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1-[2-(3-methyl-5-phenylphenyl)-4-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene is sourced from PubChem (CID 153368874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).