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

C43H46 — CID 173081286

IUPAC6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene
SMILESCCCc1c(CCC)c(C2=CC=CC2)c2c(c1CCC)-c1c(CCC)c(=C(c3ccccc3)c3ccccc3)ccc1=C2
InChIInChI=1S/C43H46/c1-5-17-34-35(18-6-2)41(32-25-15-16-26-32)39-29-33-27-28-38(37(20-8-4)42(33)43(39)36(34)19-7-3)40(30-21-11-9-12-22-30)31-23-13-10-14-24-31/h9-16,21-25,27-29H,5-8,17-20,26H2,1-4H3
InChIKeyNVGPDIAGLAFICM-UHFFFAOYSA-N
MW562.84 g/mol
LogP9.90
Rot. Bonds11

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

6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene (PubChem CID 173081286) has the molecular formula C43H46 and a molecular weight of 562.84 g/mol. Its IUPAC name is 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene.

Molecular Properties

Compound Name6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene
PubChem CID173081286
Molecular FormulaC43H46
Molecular Weight562.84 g/mol
Exact Mass562.36
IUPAC Name6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene
SMILESCCCc1c(CCC)c(C2=CC=CC2)c2c(c1CCC)-c1c(CCC)c(=C(c3ccccc3)c3ccccc3)ccc1=C2
InChIInChI=1S/C43H46/c1-5-17-34-35(18-6-2)41(32-25-15-16-26-32)39-29-33-27-28-38(37(20-8-4)42(33)43(39)36(34)19-7-3)40(30-21-11-9-12-22-30)31-23-13-10-14-24-31/h9-16,21-25,27-29H,5-8,17-20,26H2,1-4H3
InChIKeyNVGPDIAGLAFICM-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.84
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene 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-tetrapropylfluorene?
The IUPAC name of 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene (CID 173081286) is 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene.
What is the SMILES notation for 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene?
The canonical SMILES for 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene is CCCc1c(CCC)c(C2=CC=CC2)c2c(c1CCC)-c1c(CCC)c(=C(c3ccccc3)c3ccccc3)ccc1=C2.
What is the InChIKey of 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene?
The InChIKey is NVGPDIAGLAFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46/c1-5-17-34-35(18-6-2)41(32-25-15-16-26-32)39-29-33-27-28-38(37(20-8-4)42(33)43(39)36(34)19-7-3)40(30-21-11-9-12-22-30)31-23-13-10-14-24-31/h9-16,21-25,27-29H,5-8,17-20,26H2,1-4H3.
What are the key properties of 6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene?
6-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,3,4,5-tetrapropylfluorene has a molecular weight of 562.84 g/mol, XLogP of 9.90, 11 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-tetrapropylfluorene is sourced from PubChem (CID 173081286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).