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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Related Compounds

1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene
CID 173041020
chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene
CID 67039723
4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene
CID 67039433
4-bromo-1-[2-(4-bromo-2-methyl-1H-cyclopenta[b]naphthalen-1-yl)propan-2-yl]-2-methyl-1H-cyclopenta[b]naphthalene
CID 67039976
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607
dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane;dimethyl-bis(4-naphthalen-1-yl-1H-inden-1-yl)silane
CID 161108029
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane
CID 141041116
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704

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).