(2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole

C25H31N — CID 144827605

IUPAC(2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole
SMILESC=C(/C=C1\Cc2c(C(C)C)ccc(-c3ccccc3)c2N1C)C(C)(C)C
InChIInChI=1S/C25H31N/c1-17(2)21-13-14-22(19-11-9-8-10-12-19)24-23(21)16-20(26(24)7)15-18(3)25(4,5)6/h8-15,17H,3,16H2,1-2,4-7H3/b20-15+
InChIKeyMXHHTHZUMWITSO-HMMYKYKNSA-N
MW345.53 g/mol
LogP6.96
Rot. Bonds3

About (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole

(2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole (PubChem CID 144827605) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole.

Molecular Properties

Compound Name(2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole
PubChem CID144827605
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name(2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole
SMILESC=C(/C=C1\Cc2c(C(C)C)ccc(-c3ccccc3)c2N1C)C(C)(C)C
InChIInChI=1S/C25H31N/c1-17(2)21-13-14-22(19-11-9-8-10-12-19)24-23(21)16-20(26(24)7)15-18(3)25(4,5)6/h8-15,17H,3,16H2,1-2,4-7H3/b20-15+
InChIKeyMXHHTHZUMWITSO-HMMYKYKNSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z,3E)-3-(3,3-dimethyl-1H-inden-2-ylidene)prop-1-en-1-amine;[(E)-5,5-dimethyl-4-methylidenehex-2-en-2-yl]-methyl-(2-methyl-6-phenyl-3-propan-2-ylphenyl)phosphane;ethane;methanamine
CID 144827636
ethane;1-phenyl-2-propan-2-ylbenzene
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CID 102084613
2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene
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1-(2,6-diphenylphenyl)-2-(8-propan-2-yl-9H-fluoren-3-yl)imidazole
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2-(5-tert-butyl-2-methylphenyl)-3-[2,6-di(propan-2-yl)phenyl]-1-methyl-5-phenylbenzimidazol-1-ium
CID 158993057
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
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1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole?
The IUPAC name of (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole (CID 144827605) is (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole.
What is the SMILES notation for (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole?
The canonical SMILES for (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole is C=C(/C=C1\Cc2c(C(C)C)ccc(-c3ccccc3)c2N1C)C(C)(C)C.
What is the InChIKey of (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole?
The InChIKey is MXHHTHZUMWITSO-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H31N/c1-17(2)21-13-14-22(19-11-9-8-10-12-19)24-23(21)16-20(26(24)7)15-18(3)25(4,5)6/h8-15,17H,3,16H2,1-2,4-7H3/b20-15+.
What are the key properties of (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole?
(2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole has a molecular weight of 345.53 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,3-dimethyl-2-methylidenebutylidene)-1-methyl-7-phenyl-4-propan-2-yl-3H-indole is sourced from PubChem (CID 144827605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).