9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene

C32H26 — CID 76563716

IUPAC9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene
SMILESCc1c(C)c2cc(C=Cc3ccccc3)ccc2c2ccc(C=Cc3ccccc3)cc12
InChIInChI=1S/C32H26/c1-23-24(2)32-22-28(16-14-26-11-7-4-8-12-26)18-20-30(32)29-19-17-27(21-31(23)29)15-13-25-9-5-3-6-10-25/h3-22H,1-2H3
InChIKeyJVCFDIVFHVXDNE-UHFFFAOYSA-N
MW410.56 g/mol
LogP8.95
Rot. Bonds4

About 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene

9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene (PubChem CID 76563716) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene.

Molecular Properties

Compound Name9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene
PubChem CID76563716
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene
SMILESCc1c(C)c2cc(C=Cc3ccccc3)ccc2c2ccc(C=Cc3ccccc3)cc12
InChIInChI=1S/C32H26/c1-23-24(2)32-22-28(16-14-26-11-7-4-8-12-26)18-20-30(32)29-19-17-27(21-31(23)29)15-13-25-9-5-3-6-10-25/h3-22H,1-2H3
InChIKeyJVCFDIVFHVXDNE-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
CID 173240821
4,11-bis(2-phenylethenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 76653841
3-[(Z)-2-phenylethenyl]chrysene
CID 14241298
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 89242594
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
CID 68629496
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
CID 70567885
CID 70567885
CID 70569152
CID 70569152
acetic acid;stilbene
CID 172803728
3,5-bis(2-phenylethenyl)-2H-indazole
CID 69468999

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene?
The IUPAC name of 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene (CID 76563716) is 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene.
What is the SMILES notation for 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene?
The canonical SMILES for 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene is Cc1c(C)c2cc(C=Cc3ccccc3)ccc2c2ccc(C=Cc3ccccc3)cc12.
What is the InChIKey of 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene?
The InChIKey is JVCFDIVFHVXDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26/c1-23-24(2)32-22-28(16-14-26-11-7-4-8-12-26)18-20-30(32)29-19-17-27(21-31(23)29)15-13-25-9-5-3-6-10-25/h3-22H,1-2H3.
What are the key properties of 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene?
9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene has a molecular weight of 410.56 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-2,7-bis(2-phenylethenyl)phenanthrene is sourced from PubChem (CID 76563716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).