2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene

C35H32 — CID 18477474

IUPAC2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
SMILESCCC1=Cc2c(-c3ccccc3)cccc2C1CC1C(CC)=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C35H32/c1-3-24-21-34-28(26-13-7-5-8-14-26)17-11-19-30(34)32(24)23-33-25(4-2)22-35-29(18-12-20-31(33)35)27-15-9-6-10-16-27/h5-22,32-33H,3-4,23H2,1-2H3
InChIKeyLXRQHECBWRSHPO-UHFFFAOYSA-N
MW452.64 g/mol
LogP9.89
Rot. Bonds6

About 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene

2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene (PubChem CID 18477474) has the molecular formula C35H32 and a molecular weight of 452.64 g/mol. Its IUPAC name is 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene.

Molecular Properties

Compound Name2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
PubChem CID18477474
Molecular FormulaC35H32
Molecular Weight452.64 g/mol
Exact Mass452.25
IUPAC Name2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
SMILESCCC1=Cc2c(-c3ccccc3)cccc2C1CC1C(CC)=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C35H32/c1-3-24-21-34-28(26-13-7-5-8-14-26)17-11-19-30(34)32(24)23-33-25(4-2)22-35-29(18-12-20-31(33)35)27-15-9-6-10-16-27/h5-22,32-33H,3-4,23H2,1-2H3
InChIKeyLXRQHECBWRSHPO-UHFFFAOYSA-N
XLogP9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
The IUPAC name of 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene (CID 18477474) is 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene.
What is the SMILES notation for 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
The canonical SMILES for 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene is CCC1=Cc2c(-c3ccccc3)cccc2C1CC1C(CC)=Cc2c(-c3ccccc3)cccc21.
What is the InChIKey of 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
The InChIKey is LXRQHECBWRSHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32/c1-3-24-21-34-28(26-13-7-5-8-14-26)17-11-19-30(34)32(24)23-33-25(4-2)22-35-29(18-12-20-31(33)35)27-15-9-6-10-16-27/h5-22,32-33H,3-4,23H2,1-2H3.
What are the key properties of 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene?
2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene has a molecular weight of 452.64 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene is sourced from PubChem (CID 18477474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).