(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione

C26H34N6O4 — CID 177442101

IUPAC(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione
SMILESCOc1ccc(C2NC(=O)N/N=C(/C)C(C)C(c3ccc(OC)cc3)NC(=O)N/N=C(/C)C2C)cc1
InChIInChI=1S/C26H34N6O4/c1-15-17(3)29-31-26(34)28-24(20-9-13-22(36-6)14-10-20)16(2)18(4)30-32-25(33)27-23(15)19-7-11-21(35-5)12-8-19/h7-16,23-24H,1-6H3,(H2,27,32,33)(H2,28,31,34)/b29-17-,30-18-
InChIKeyLOBVINKKHOKZET-LZUTUTKMSA-N
MW494.60 g/mol
LogP4.12
Rot. Bonds4

About (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione

(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione (PubChem CID 177442101) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione.

Molecular Properties

Compound Name(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione
PubChem CID177442101
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione
SMILESCOc1ccc(C2NC(=O)N/N=C(/C)C(C)C(c3ccc(OC)cc3)NC(=O)N/N=C(/C)C2C)cc1
InChIInChI=1S/C26H34N6O4/c1-15-17(3)29-31-26(34)28-24(20-9-13-22(36-6)14-10-20)16(2)18(4)30-32-25(33)27-23(15)19-7-11-21(35-5)12-8-19/h7-16,23-24H,1-6H3,(H2,27,32,33)(H2,28,31,34)/b29-17-,30-18-
InChIKeyLOBVINKKHOKZET-LZUTUTKMSA-N
XLogP4.12
TPSA125.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione with MolForge

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Related Compounds

4-amino-5-(4-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 154983197
3-amino-4-(4-methoxyphenyl)azetidin-2-one
CID 82402822
(3S,4S)-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 11171849
(2R,3R)-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10330960
[(2R,3S,4S)-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamic acid
CID 154983238
4,5-bis(4-chlorophenyl)-8a-(4-methoxyphenyl)-3,4,4a,5,6,8-hexahydro-1H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 101438864
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-1-ium-4-one
CID 7064593
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
methyl 4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4574997
6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
CID 24829281
(3R,3aR)-3-(4-methoxyphenyl)-2,3,3a,6-tetrahydropyrazolo[3,4-d][1,3]thiazol-5-one
CID 136900618
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796

Frequently Asked Questions

What is the IUPAC name of (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione?
The IUPAC name of (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione (CID 177442101) is (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione.
What is the SMILES notation for (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione?
The canonical SMILES for (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione is COc1ccc(C2NC(=O)N/N=C(/C)C(C)C(c3ccc(OC)cc3)NC(=O)N/N=C(/C)C2C)cc1.
What is the InChIKey of (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione?
The InChIKey is LOBVINKKHOKZET-LZUTUTKMSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-15-17(3)29-31-26(34)28-24(20-9-13-22(36-6)14-10-20)16(2)18(4)30-32-25(33)27-23(15)19-7-11-21(35-5)12-8-19/h7-16,23-24H,1-6H3,(H2,27,32,33)(H2,28,31,34)/b29-17-,30-18-.
What are the key properties of (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione?
(1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione has a molecular weight of 494.60 g/mol, XLogP of 4.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7E)-5,12-bis(4-methoxyphenyl)-6,7,13,14-tetramethyl-1,2,4,8,9,11-hexazacyclotetradeca-7,14-diene-3,10-dione is sourced from PubChem (CID 177442101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).