5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene

C36H21Cl5 — CID 86031206

IUPAC5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene
SMILESClc1ccc(C2(c3ccc(Cl)cc3)c3cccc4c(Cl)ccc(c34)C2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C36H21Cl5/c37-26-12-4-22(5-13-26)35(23-6-14-27(38)15-7-23)31-3-1-2-30-33(41)21-20-32(34(30)31)36(35,24-8-16-28(39)17-9-24)25-10-18-29(40)19-11-25/h1-21H
InChIKeyQVXAVVPLMUULIQ-UHFFFAOYSA-N
MW630.83 g/mol
LogP11.79
Rot. Bonds4

About 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene

5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene (PubChem CID 86031206) has the molecular formula C36H21Cl5 and a molecular weight of 630.83 g/mol. Its IUPAC name is 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene.

Molecular Properties

Compound Name5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene
PubChem CID86031206
Molecular FormulaC36H21Cl5
Molecular Weight630.83 g/mol
Exact Mass628.01
IUPAC Name5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene
SMILESClc1ccc(C2(c3ccc(Cl)cc3)c3cccc4c(Cl)ccc(c34)C2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C36H21Cl5/c37-26-12-4-22(5-13-26)35(23-6-14-27(38)15-7-23)31-3-1-2-30-33(41)21-20-32(34(30)31)36(35,24-8-16-28(39)17-9-24)25-10-18-29(40)19-11-25/h1-21H
InChIKeyQVXAVVPLMUULIQ-UHFFFAOYSA-N
XLogP11.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.83
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene?
The IUPAC name of 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene (CID 86031206) is 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene.
What is the SMILES notation for 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene?
The canonical SMILES for 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene is Clc1ccc(C2(c3ccc(Cl)cc3)c3cccc4c(Cl)ccc(c34)C2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene?
The InChIKey is QVXAVVPLMUULIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21Cl5/c37-26-12-4-22(5-13-26)35(23-6-14-27(38)15-7-23)31-3-1-2-30-33(41)21-20-32(34(30)31)36(35,24-8-16-28(39)17-9-24)25-10-18-29(40)19-11-25/h1-21H.
What are the key properties of 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene?
5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene has a molecular weight of 630.83 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1,2,2-tetrakis(4-chlorophenyl)acenaphthylene is sourced from PubChem (CID 86031206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).