3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene

C33H40 — CID 22595411

IUPAC3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene
SMILESC1=C(CC2CCCCC2)c2ccccc2C1CC1C=C(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C33H40/c1-3-11-24(12-4-1)19-26-21-28(32-17-9-7-15-30(26)32)23-29-22-27(20-25-13-5-2-6-14-25)31-16-8-10-18-33(29)31/h7-10,15-18,21-22,24-25,28-29H,1-6,11-14,19-20,23H2
InChIKeyBTJDROAAPBXIKY-UHFFFAOYSA-N
MW436.68 g/mol
LogP9.68
Rot. Bonds6

About 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene

3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene (PubChem CID 22595411) has the molecular formula C33H40 and a molecular weight of 436.68 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene
PubChem CID22595411
Molecular FormulaC33H40
Molecular Weight436.68 g/mol
Exact Mass436.31
IUPAC Name3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene
SMILESC1=C(CC2CCCCC2)c2ccccc2C1CC1C=C(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C33H40/c1-3-11-24(12-4-1)19-26-21-28(32-17-9-7-15-30(26)32)23-29-22-27(20-25-13-5-2-6-14-25)31-16-8-10-18-33(29)31/h7-10,15-18,21-22,24-25,28-29H,1-6,11-14,19-20,23H2
InChIKeyBTJDROAAPBXIKY-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
The IUPAC name of 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene (CID 22595411) is 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene.
What is the SMILES notation for 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
The canonical SMILES for 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene is C1=C(CC2CCCCC2)c2ccccc2C1CC1C=C(CC2CCCCC2)c2ccccc21.
What is the InChIKey of 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
The InChIKey is BTJDROAAPBXIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40/c1-3-11-24(12-4-1)19-26-21-28(32-17-9-7-15-30(26)32)23-29-22-27(20-25-13-5-2-6-14-25)31-16-8-10-18-33(29)31/h7-10,15-18,21-22,24-25,28-29H,1-6,11-14,19-20,23H2.
What are the key properties of 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene?
3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene has a molecular weight of 436.68 g/mol, XLogP of 9.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene is sourced from PubChem (CID 22595411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).