2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline

C28H27N — CID 145413654

IUPAC2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline
SMILESC=CC1=C(C=C)C(C)(C)c2ccccc2N1c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H27N/c1-6-24-26(7-2)29(27-11-9-8-10-25(27)28(24,4)5)23-18-16-22(17-19-23)21-14-12-20(3)13-15-21/h6-19H,1-2H2,3-5H3
InChIKeySIEHHGUTHGWKHF-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.72
Rot. Bonds4

About 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline

2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline (PubChem CID 145413654) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline
PubChem CID145413654
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline
SMILESC=CC1=C(C=C)C(C)(C)c2ccccc2N1c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H27N/c1-6-24-26(7-2)29(27-11-9-8-10-25(27)28(24,4)5)23-18-16-22(17-19-23)21-14-12-20(3)13-15-21/h6-19H,1-2H2,3-5H3
InChIKeySIEHHGUTHGWKHF-UHFFFAOYSA-N
XLogP7.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]
CID 143268877
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
CID 162115764
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide
CID 144748741
14,14-dimethyl-5,8-bis(4-methylphenyl)quinolino[2,3-c]phenothiazine
CID 123627452
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline?
The IUPAC name of 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline (CID 145413654) is 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline.
What is the SMILES notation for 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline?
The canonical SMILES for 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline is C=CC1=C(C=C)C(C)(C)c2ccccc2N1c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline?
The InChIKey is SIEHHGUTHGWKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-6-24-26(7-2)29(27-11-9-8-10-25(27)28(24,4)5)23-18-16-22(17-19-23)21-14-12-20(3)13-15-21/h6-19H,1-2H2,3-5H3.
What are the key properties of 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline?
2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline has a molecular weight of 377.53 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4,4-dimethyl-1-[4-(4-methylphenyl)phenyl]quinoline is sourced from PubChem (CID 145413654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).