6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene

C30H22O — CID 163364629

IUPAC6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene
SMILESCc1ccc2c(c1)C(c1ccccc1)=CC(C#Cc1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C30H22O/c1-23-17-18-29-27(21-23)28(25-13-7-3-8-14-25)22-30(31-29,26-15-9-4-10-16-26)20-19-24-11-5-2-6-12-24/h2-18,21-22H,1H3
InChIKeyBFYKCAXYWAZYSP-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.77
Rot. Bonds2

About 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene

6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene (PubChem CID 163364629) has the molecular formula C30H22O and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene.

Molecular Properties

Compound Name6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene
PubChem CID163364629
Molecular FormulaC30H22O
Molecular Weight398.51 g/mol
Exact Mass398.17
IUPAC Name6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene
SMILESCc1ccc2c(c1)C(c1ccccc1)=CC(C#Cc1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C30H22O/c1-23-17-18-29-27(21-23)28(25-13-7-3-8-14-25)22-30(31-29,26-15-9-4-10-16-26)20-19-24-11-5-2-6-12-24/h2-18,21-22H,1H3
InChIKeyBFYKCAXYWAZYSP-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-4-phenyl-2-(2-phenylethynyl)chromene
CID 163364632
2,6-dimethyl-2,4-diphenylchromene
CID 132534957
2-ethyl-2,6-dimethyl-4-phenylchromene
CID 11821502
6-[1,1-bis(2,2,4-triphenylchromen-6-yl)ethyl]-2,2,4-triphenylchromene
CID 138498468
3,8-dimethyl-5,6-diphenylbenzo[b][1]benzoxepine
CID 13167351
2-(2,5-dimethylphenyl)-2-(2-phenylethynyl)-1,3-dioxolane
CID 134454805
5-(4-methylphenyl)-3,5-diphenylfuran-2-one
CID 12559993
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
CID 87056899
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
methyl-[(2S)-3-methyl-4-[2-(4-methylphenyl)ethynyl]-2-phenylchromen-2-yl]azanium
CID 2272139

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene?
The IUPAC name of 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene (CID 163364629) is 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene.
What is the SMILES notation for 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene?
The canonical SMILES for 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene is Cc1ccc2c(c1)C(c1ccccc1)=CC(C#Cc1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene?
The InChIKey is BFYKCAXYWAZYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O/c1-23-17-18-29-27(21-23)28(25-13-7-3-8-14-25)22-30(31-29,26-15-9-4-10-16-26)20-19-24-11-5-2-6-12-24/h2-18,21-22H,1H3.
What are the key properties of 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene?
6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene has a molecular weight of 398.51 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-diphenyl-2-(2-phenylethynyl)chromene is sourced from PubChem (CID 163364629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).