1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene

C43H36 — CID 22994948

IUPAC1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1C(C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C43H36/c1-27-25-39-35(33-19-9-15-29-13-5-7-17-31(29)33)21-11-23-37(39)41(27)43(3,4)42-28(2)26-40-36(22-12-24-38(40)42)34-20-10-16-30-14-6-8-18-32(30)34/h5-26,41-42H,1-4H3
InChIKeyJHWAGEDONYWVMA-UHFFFAOYSA-N
MW552.76 g/mol
LogP12.05
Rot. Bonds4

About 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene

1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene (PubChem CID 22994948) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene.

Molecular Properties

Compound Name1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
PubChem CID22994948
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
SMILESCC1=Cc2c(-c3cccc4ccccc34)cccc2C1C(C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C43H36/c1-27-25-39-35(33-19-9-15-29-13-5-7-17-31(29)33)21-11-23-37(39)41(27)43(3,4)42-28(2)26-40-36(22-12-24-38(40)42)34-20-10-16-30-14-6-8-18-32(30)34/h5-26,41-42H,1-4H3
InChIKeyJHWAGEDONYWVMA-UHFFFAOYSA-N
XLogP12.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene?
The IUPAC name of 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene (CID 22994948) is 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene.
What is the SMILES notation for 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene?
The canonical SMILES for 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene is CC1=Cc2c(-c3cccc4ccccc34)cccc2C1C(C)(C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene?
The InChIKey is JHWAGEDONYWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36/c1-27-25-39-35(33-19-9-15-29-13-5-7-17-31(29)33)21-11-23-37(39)41(27)43(3,4)42-28(2)26-40-36(22-12-24-38(40)42)34-20-10-16-30-14-6-8-18-32(30)34/h5-26,41-42H,1-4H3.
What are the key properties of 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene?
1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene has a molecular weight of 552.76 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene is sourced from PubChem (CID 22994948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).