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

C33H30 — CID 173041020

IUPAC1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene
SMILESCC1=Cc2ccccc2C1C(C)(C)C1C(C)=C(c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C33H30/c1-21-20-24-13-6-8-16-26(24)31(21)33(3,4)32-22(2)30(28-17-9-10-18-29(28)32)27-19-11-14-23-12-5-7-15-25(23)27/h5-20,31-32H,1-4H3
InChIKeyXLRUTXMWOUZQOF-UHFFFAOYSA-N
MW426.60 g/mol
LogP8.99
Rot. Bonds3

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

1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene (PubChem CID 173041020) has the molecular formula C33H30 and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene.

Molecular Properties

Compound Name1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene
PubChem CID173041020
Molecular FormulaC33H30
Molecular Weight426.60 g/mol
Exact Mass426.23
IUPAC Name1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene
SMILESCC1=Cc2ccccc2C1C(C)(C)C1C(C)=C(c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C33H30/c1-21-20-24-13-6-8-16-26(24)31(21)33(3,4)32-22(2)30(28-17-9-10-18-29(28)32)27-19-11-14-23-12-5-7-15-25(23)27/h5-20,31-32H,1-4H3
InChIKeyXLRUTXMWOUZQOF-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
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
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
CID 139951457
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
1-(1,1-diphenylethyl)-2-methyl-1H-indene
CID 140629859
1-[2-(2,4-dimethyl-1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-1H-indene
CID 139962826
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene
CID 18477492
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
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
3,6-ditert-butyl-9-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 91296033

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene?
The IUPAC name of 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene (CID 173041020) is 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene.
What is the SMILES notation for 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene?
The canonical SMILES for 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene is CC1=Cc2ccccc2C1C(C)(C)C1C(C)=C(c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene?
The InChIKey is XLRUTXMWOUZQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30/c1-21-20-24-13-6-8-16-26(24)31(21)33(3,4)32-22(2)30(28-17-9-10-18-29(28)32)27-19-11-14-23-12-5-7-15-25(23)27/h5-20,31-32H,1-4H3.
What are the key properties of 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene?
1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene has a molecular weight of 426.60 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene is sourced from PubChem (CID 173041020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).