2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene

C36H26 — CID 23032040

IUPAC2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene
SMILESCc1ccc2c(c1)C=CC2c1c2c(ccc1=C(c1ccccc1)c1ccccc1)=c1ccccc1=C2
InChIInChI=1S/C36H26/c1-24-16-18-30-28(22-24)17-19-32(30)36-33(21-20-31-29-15-9-8-14-27(29)23-34(31)36)35(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-23,32H,1H3
InChIKeyDXKFTMUJBCYZFK-UHFFFAOYSA-N
MW458.60 g/mol
LogP6.83
Rot. Bonds3

About 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene

2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene (PubChem CID 23032040) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene.

Molecular Properties

Compound Name2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene
PubChem CID23032040
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene
SMILESCc1ccc2c(c1)C=CC2c1c2c(ccc1=C(c1ccccc1)c1ccccc1)=c1ccccc1=C2
InChIInChI=1S/C36H26/c1-24-16-18-30-28(22-24)17-19-32(30)36-33(21-20-31-29-15-9-8-14-27(29)23-34(31)36)35(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-23,32H,1H3
InChIKeyDXKFTMUJBCYZFK-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene?
The IUPAC name of 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene (CID 23032040) is 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene.
What is the SMILES notation for 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene?
The canonical SMILES for 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene is Cc1ccc2c(c1)C=CC2c1c2c(ccc1=C(c1ccccc1)c1ccccc1)=c1ccccc1=C2.
What is the InChIKey of 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene?
The InChIKey is DXKFTMUJBCYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-24-16-18-30-28(22-24)17-19-32(30)36-33(21-20-31-29-15-9-8-14-27(29)23-34(31)36)35(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-23,32H,1H3.
What are the key properties of 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene?
2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene has a molecular weight of 458.60 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylidene-1-(5-methyl-1H-inden-1-yl)fluorene is sourced from PubChem (CID 23032040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).