(2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene

C32H34 — CID 58673933

IUPAC(2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene
SMILESC=C(CCC)C1=C(C)C=C2C/C(=C\c3ccccc3)C(=C)C2C1c1ccc2c(c1)CCC2
InChIInChI=1S/C32H34/c1-5-10-21(2)30-22(3)17-29-20-28(18-24-11-7-6-8-12-24)23(4)31(29)32(30)27-16-15-25-13-9-14-26(25)19-27/h6-8,11-12,15-19,31-32H,2,4-5,9-10,13-14,20H2,1,3H3/b28-18+
InChIKeyMLQPSKQFGGFRBO-MTDXEUNCSA-N
MW418.62 g/mol
LogP8.53
Rot. Bonds5

About (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene

(2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene (PubChem CID 58673933) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene.

Molecular Properties

Compound Name(2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene
PubChem CID58673933
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name(2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene
SMILESC=C(CCC)C1=C(C)C=C2C/C(=C\c3ccccc3)C(=C)C2C1c1ccc2c(c1)CCC2
InChIInChI=1S/C32H34/c1-5-10-21(2)30-22(3)17-29-20-28(18-24-11-7-6-8-12-24)23(4)31(29)32(30)27-16-15-25-13-9-14-26(25)19-27/h6-8,11-12,15-19,31-32H,2,4-5,9-10,13-14,20H2,1,3H3/b28-18+
InChIKeyMLQPSKQFGGFRBO-MTDXEUNCSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
The IUPAC name of (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene (CID 58673933) is (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene.
What is the SMILES notation for (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
The canonical SMILES for (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene is C=C(CCC)C1=C(C)C=C2C/C(=C\c3ccccc3)C(=C)C2C1c1ccc2c(c1)CCC2.
What is the InChIKey of (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
The InChIKey is MLQPSKQFGGFRBO-MTDXEUNCSA-N. The full InChI is InChI=1S/C32H34/c1-5-10-21(2)30-22(3)17-29-20-28(18-24-11-7-6-8-12-24)23(4)31(29)32(30)27-16-15-25-13-9-14-26(25)19-27/h6-8,11-12,15-19,31-32H,2,4-5,9-10,13-14,20H2,1,3H3/b28-18+.
What are the key properties of (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene?
(2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene has a molecular weight of 418.62 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-4-(2,3-dihydro-1H-inden-5-yl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58673933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).