5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene

C37H34 — CID 87448605

IUPAC5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene
SMILESCCc1c(C)c(C2=CC=CC2)c2c(c1CC)=c1c(cc(C)cc1=C(c1ccccc1)c1ccccc1)C=2
InChIInChI=1S/C37H34/c1-5-30-25(4)34(26-19-13-14-20-26)33-23-29-21-24(3)22-32(36(29)37(33)31(30)6-2)35(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-19,21-23H,5-6,20H2,1-4H3
InChIKeyXCOAZKZMBCBNDH-UHFFFAOYSA-N
MW478.68 g/mol
LogP7.45
Rot. Bonds5

About 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene

5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene (PubChem CID 87448605) has the molecular formula C37H34 and a molecular weight of 478.68 g/mol. Its IUPAC name is 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene.

Molecular Properties

Compound Name5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene
PubChem CID87448605
Molecular FormulaC37H34
Molecular Weight478.68 g/mol
Exact Mass478.27
IUPAC Name5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene
SMILESCCc1c(C)c(C2=CC=CC2)c2c(c1CC)=c1c(cc(C)cc1=C(c1ccccc1)c1ccccc1)C=2
InChIInChI=1S/C37H34/c1-5-30-25(4)34(26-19-13-14-20-26)33-23-29-21-24(3)22-32(36(29)37(33)31(30)6-2)35(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-19,21-23H,5-6,20H2,1-4H3
InChIKeyXCOAZKZMBCBNDH-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene?
The IUPAC name of 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene (CID 87448605) is 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene.
What is the SMILES notation for 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene?
The canonical SMILES for 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene is CCc1c(C)c(C2=CC=CC2)c2c(c1CC)=c1c(cc(C)cc1=C(c1ccccc1)c1ccccc1)C=2.
What is the InChIKey of 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene?
The InChIKey is XCOAZKZMBCBNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34/c1-5-30-25(4)34(26-19-13-14-20-26)33-23-29-21-24(3)22-32(36(29)37(33)31(30)6-2)35(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h7-19,21-23H,5-6,20H2,1-4H3.
What are the key properties of 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene?
5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene has a molecular weight of 478.68 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-3,4-diethyl-2,7-dimethylfluorene is sourced from PubChem (CID 87448605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).