6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene

C55H38 — CID 173081687

IUPAC6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene
SMILESC1=CCC(c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2c(-c4ccccc4)c(=C(c4ccccc4)c4ccccc4)ccc2=C3)=C1
InChIInChI=1S/C55H38/c1-7-21-38(22-8-1)48(39-23-9-2-10-24-39)46-36-35-45-37-47-50(41-33-19-20-34-41)51(42-27-13-4-14-28-42)52(43-29-15-5-16-30-43)53(44-31-17-6-18-32-44)55(47)54(45)49(46)40-25-11-3-12-26-40/h1-33,35-37H,34H2
InChIKeyASCSDIDLCPHCDE-UHFFFAOYSA-N
MW698.91 g/mol
LogP12.75
Rot. Bonds7

About 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene

6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene (PubChem CID 173081687) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene.

Molecular Properties

Compound Name6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene
PubChem CID173081687
Molecular FormulaC55H38
Molecular Weight698.91 g/mol
Exact Mass698.30
IUPAC Name6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene
SMILESC1=CCC(c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2c(-c4ccccc4)c(=C(c4ccccc4)c4ccccc4)ccc2=C3)=C1
InChIInChI=1S/C55H38/c1-7-21-38(22-8-1)48(39-23-9-2-10-24-39)46-36-35-45-37-47-50(41-33-19-20-34-41)51(42-27-13-4-14-28-42)52(43-29-15-5-16-30-43)53(44-31-17-6-18-32-44)55(47)54(45)49(46)40-25-11-3-12-26-40/h1-33,35-37H,34H2
InChIKeyASCSDIDLCPHCDE-UHFFFAOYSA-N
XLogP12.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene?
The IUPAC name of 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene (CID 173081687) is 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene.
What is the SMILES notation for 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene?
The canonical SMILES for 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene is C1=CCC(c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2c(-c4ccccc4)c(=C(c4ccccc4)c4ccccc4)ccc2=C3)=C1.
What is the InChIKey of 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene?
The InChIKey is ASCSDIDLCPHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-7-21-38(22-8-1)48(39-23-9-2-10-24-39)46-36-35-45-37-47-50(41-33-19-20-34-41)51(42-27-13-4-14-28-42)52(43-29-15-5-16-30-43)53(44-31-17-6-18-32-44)55(47)54(45)49(46)40-25-11-3-12-26-40/h1-33,35-37H,34H2.
What are the key properties of 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene?
6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene has a molecular weight of 698.91 g/mol, XLogP of 12.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetraphenylfluorene is sourced from PubChem (CID 173081687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).