1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene

C43H36 — CID 18477492

IUPAC1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene
SMILESCCC1=C(c2cccc3ccccc23)c2ccccc2C1CC1C(CC)=C(c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C43H36/c1-3-30-40(34-21-9-11-23-38(34)42(30)36-25-13-17-28-15-5-7-19-32(28)36)27-41-31(4-2)43(39-24-12-10-22-35(39)41)37-26-14-18-29-16-6-8-20-33(29)37/h5-26,40-41H,3-4,27H2,1-2H3
InChIKeyADVHVUSASDTMCW-UHFFFAOYSA-N
MW552.76 g/mol
LogP11.70
Rot. Bonds6

About 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene

1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene (PubChem CID 18477492) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene.

Molecular Properties

Compound Name1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene
PubChem CID18477492
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene
SMILESCCC1=C(c2cccc3ccccc23)c2ccccc2C1CC1C(CC)=C(c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C43H36/c1-3-30-40(34-21-9-11-23-38(34)42(30)36-25-13-17-28-15-5-7-19-32(28)36)27-41-31(4-2)43(39-24-12-10-22-35(39)41)37-26-14-18-29-16-6-8-20-33(29)37/h5-26,40-41H,3-4,27H2,1-2H3
InChIKeyADVHVUSASDTMCW-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene?
The IUPAC name of 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene (CID 18477492) is 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene.
What is the SMILES notation for 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene?
The canonical SMILES for 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene is CCC1=C(c2cccc3ccccc23)c2ccccc2C1CC1C(CC)=C(c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene?
The InChIKey is ADVHVUSASDTMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36/c1-3-30-40(34-21-9-11-23-38(34)42(30)36-25-13-17-28-15-5-7-19-32(28)36)27-41-31(4-2)43(39-24-12-10-22-35(39)41)37-26-14-18-29-16-6-8-20-33(29)37/h5-26,40-41H,3-4,27H2,1-2H3.
What are the key properties of 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene?
1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene has a molecular weight of 552.76 g/mol, XLogP of 11.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene is sourced from PubChem (CID 18477492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).