2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine

C27H27N — CID 89001084

IUPAC2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine
SMILESC=C/C=C\C=C(/C)c1c2c(c(C3=NC=CCC3)c3cc(C)ccc13)=CCCC=2
InChIInChI=1S/C27H27N/c1-4-5-6-11-20(3)26-21-12-7-8-13-22(21)27(25-14-9-10-17-28-25)24-18-19(2)15-16-23(24)26/h4-6,10-13,15-18H,1,7-9,14H2,2-3H3/b6-5-,20-11+
InChIKeyUMUZPFTWVGNODP-KNLMRNNNSA-N
MW365.52 g/mol
LogP5.75
Rot. Bonds4

About 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine

2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine (PubChem CID 89001084) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine
PubChem CID89001084
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine
SMILESC=C/C=C\C=C(/C)c1c2c(c(C3=NC=CCC3)c3cc(C)ccc13)=CCCC=2
InChIInChI=1S/C27H27N/c1-4-5-6-11-20(3)26-21-12-7-8-13-22(21)27(25-14-9-10-17-28-25)24-18-19(2)15-16-23(24)26/h4-6,10-13,15-18H,1,7-9,14H2,2-3H3/b6-5-,20-11+
InChIKeyUMUZPFTWVGNODP-KNLMRNNNSA-N
XLogP5.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine?
The IUPAC name of 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine (CID 89001084) is 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine.
What is the SMILES notation for 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine?
The canonical SMILES for 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine is C=C/C=C\C=C(/C)c1c2c(c(C3=NC=CCC3)c3cc(C)ccc13)=CCCC=2.
What is the InChIKey of 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine?
The InChIKey is UMUZPFTWVGNODP-KNLMRNNNSA-N. The full InChI is InChI=1S/C27H27N/c1-4-5-6-11-20(3)26-21-12-7-8-13-22(21)27(25-14-9-10-17-28-25)24-18-19(2)15-16-23(24)26/h4-6,10-13,15-18H,1,7-9,14H2,2-3H3/b6-5-,20-11+.
What are the key properties of 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine?
2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine has a molecular weight of 365.52 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-7-methyl-2,3-dihydroanthracen-9-yl]-3,4-dihydropyridine is sourced from PubChem (CID 89001084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).