4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline

C29H29NO2 — CID 11611567

IUPAC4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(C2=C(c3ccc(OC)cc3)Cc3cc(OC)ccc32)cc1
InChIInChI=1S/C29H29NO2/c1-5-17-30(18-6-2)24-11-7-22(8-12-24)29-27-16-15-26(32-4)19-23(27)20-28(29)21-9-13-25(31-3)14-10-21/h5-16,19H,1-2,17-18,20H2,3-4H3
InChIKeyPIJAVKSWDLVNLK-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.40
Rot. Bonds9

About 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline

4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline (PubChem CID 11611567) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline
PubChem CID11611567
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC Name4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(C2=C(c3ccc(OC)cc3)Cc3cc(OC)ccc32)cc1
InChIInChI=1S/C29H29NO2/c1-5-17-30(18-6-2)24-11-7-22(8-12-24)29-27-16-15-26(32-4)19-23(27)20-28(29)21-9-13-25(31-3)14-10-21/h5-16,19H,1-2,17-18,20H2,3-4H3
InChIKeyPIJAVKSWDLVNLK-UHFFFAOYSA-N
XLogP6.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine
CID 10718119
2-methoxy-6-(4-methoxyphenyl)-5-prop-2-enyl-8,9-dihydro-7H-benzo[7]annulene
CID 68731270
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
CID 20616859
methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride
CID 24845439
4-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
CID 11817064
(3S)-1-[(2R)-1-[4-[5-methoxy-2-(3-methoxyphenyl)-3H-inden-1-yl]phenoxy]propan-2-yl]-3-methylpyrrolidine
CID 123697708
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one
CID 53315284

Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline (CID 11611567) is 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(C2=C(c3ccc(OC)cc3)Cc3cc(OC)ccc32)cc1.
What is the InChIKey of 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline?
The InChIKey is PIJAVKSWDLVNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2/c1-5-17-30(18-6-2)24-11-7-22(8-12-24)29-27-16-15-26(32-4)19-23(27)20-28(29)21-9-13-25(31-3)14-10-21/h5-16,19H,1-2,17-18,20H2,3-4H3.
What are the key properties of 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline?
4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline has a molecular weight of 423.56 g/mol, XLogP of 6.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 11611567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).