1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole

C25H23N — CID 122434019

IUPAC1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole
SMILESC=c1ccc(=C(c2ccc(C)cc2)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H23N/c1-17-9-13-20(14-10-17)25(21-15-11-18(2)12-16-21)24-19(3)26(4)23-8-6-5-7-22(23)24/h5-16H,1H2,2-4H3
InChIKeyUQIRHYJDAFMVIT-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.45
Rot. Bonds2

About 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole

1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole (PubChem CID 122434019) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole.

Molecular Properties

Compound Name1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole
PubChem CID122434019
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole
SMILESC=c1ccc(=C(c2ccc(C)cc2)c2c(C)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H23N/c1-17-9-13-20(14-10-17)25(21-15-11-18(2)12-16-21)24-19(3)26(4)23-8-6-5-7-22(23)24/h5-16H,1H2,2-4H3
InChIKeyUQIRHYJDAFMVIT-UHFFFAOYSA-N
XLogP4.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1,2-dimethylindol-3-yl)-phenylmethylidene]cyclohexa-2,5-dien-1-imine
CID 69131100
N'-amino-1,2-dimethylindole-3-carboximidamide
CID 83532039
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
ethane;1,2,3-trimethylindole
CID 91590745
6-bromo-1-(1,2-dimethylindol-3-yl)hexan-1-one
CID 54117287
2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
CID 21316638
1-(2-ethyl-1-methylindol-3-yl)-N-(4-methylphenyl)-1-phenylmethanimine
CID 154348234
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
3-iodo-1,2-dimethylindole
CID 19093282
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole?
The IUPAC name of 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole (CID 122434019) is 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole.
What is the SMILES notation for 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole?
The canonical SMILES for 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole is C=c1ccc(=C(c2ccc(C)cc2)c2c(C)n(C)c3ccccc23)cc1.
What is the InChIKey of 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole?
The InChIKey is UQIRHYJDAFMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-17-9-13-20(14-10-17)25(21-15-11-18(2)12-16-21)24-19(3)26(4)23-8-6-5-7-22(23)24/h5-16H,1H2,2-4H3.
What are the key properties of 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole?
1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole has a molecular weight of 337.47 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(4-methylidenecyclohexa-2,5-dien-1-ylidene)-(4-methylphenyl)methyl]indole is sourced from PubChem (CID 122434019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).