5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline

C27H25NO — CID 175398165

IUPAC5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline
SMILESCCOc1nc2c(c3c(C)c(-c4ccccc4)c(C)c(C)c13)-c1ccccc1C2
InChIInChI=1S/C27H25NO/c1-5-29-27-25-17(3)16(2)23(19-11-7-6-8-12-19)18(4)24(25)26-21-14-10-9-13-20(21)15-22(26)28-27/h6-14H,5,15H2,1-4H3
InChIKeyQAHYEVWXMJUZRP-UHFFFAOYSA-N
MW379.50 g/mol
LogP6.80
Rot. Bonds3

About 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline

5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline (PubChem CID 175398165) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline.

Molecular Properties

Compound Name5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline
PubChem CID175398165
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline
SMILESCCOc1nc2c(c3c(C)c(-c4ccccc4)c(C)c(C)c13)-c1ccccc1C2
InChIInChI=1S/C27H25NO/c1-5-29-27-25-17(3)16(2)23(19-11-7-6-8-12-19)18(4)24(25)26-21-14-10-9-13-20(21)15-22(26)28-27/h6-14H,5,15H2,1-4H3
InChIKeyQAHYEVWXMJUZRP-UHFFFAOYSA-N
XLogP6.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine
CID 135036036
1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
2-methoxy-4-phenyl-9H-indeno[2,1-b]pyridine
CID 135035975
3-ethoxy-5-methyl-4-phenyl-1,2-oxazole
CID 12968367
2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine
CID 139310265
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234
1,2-diethoxy-3,4-dipropyl-9H-fluorene
CID 150425697
7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
CID 86098015
4-ethoxy-5-methyl-2,6-diphenylpyrimidine
CID 10946202
2-[4-(3,4-dimethyl-2-phenyldibenzothiophen-1-yl)-6-(2-phenylphenyl)triazin-5-yl]-3,4-dimethyl-9H-indeno[2,1-b]pyridine
CID 172765031
2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane
CID 158396415
6-[5-(5-cyano-6-ethoxy-2-pyridinyl)-3-methyl-4-phenylthieno[2,3-b]thiophen-2-yl]-2-ethoxypyridine-3-carbonitrile
CID 118724504

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline?
The IUPAC name of 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline (CID 175398165) is 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline.
What is the SMILES notation for 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline?
The canonical SMILES for 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline is CCOc1nc2c(c3c(C)c(-c4ccccc4)c(C)c(C)c13)-c1ccccc1C2.
What is the InChIKey of 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline?
The InChIKey is QAHYEVWXMJUZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-5-29-27-25-17(3)16(2)23(19-11-7-6-8-12-19)18(4)24(25)26-21-14-10-9-13-20(21)15-22(26)28-27/h6-14H,5,15H2,1-4H3.
What are the key properties of 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline?
5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline has a molecular weight of 379.50 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3,4-trimethyl-2-phenyl-7H-indeno[2,1-c]isoquinoline is sourced from PubChem (CID 175398165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).