1-(3,5-dichlorophenyl)triphenylene

C24H14Cl2 — CID 156653515

IUPAC1-(3,5-dichlorophenyl)triphenylene
SMILESClc1cc(Cl)cc(-c2cccc3c4ccccc4c4ccccc4c23)c1
InChIInChI=1S/C24H14Cl2/c25-16-12-15(13-17(26)14-16)18-10-5-11-23-21-7-2-1-6-19(21)20-8-3-4-9-22(20)24(18)23/h1-14H
InChIKeyBWGVLRFAEHXZDT-UHFFFAOYSA-N
MW373.28 g/mol
LogP8.12
Rot. Bonds1

About 1-(3,5-dichlorophenyl)triphenylene

1-(3,5-dichlorophenyl)triphenylene (PubChem CID 156653515) has the molecular formula C24H14Cl2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)triphenylene.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)triphenylene
PubChem CID156653515
Molecular FormulaC24H14Cl2
Molecular Weight373.28 g/mol
Exact Mass372.05
IUPAC Name1-(3,5-dichlorophenyl)triphenylene
SMILESClc1cc(Cl)cc(-c2cccc3c4ccccc4c4ccccc4c23)c1
InChIInChI=1S/C24H14Cl2/c25-16-12-15(13-17(26)14-16)18-10-5-11-23-21-7-2-1-6-19(21)20-8-3-4-9-22(20)24(18)23/h1-14H
InChIKeyBWGVLRFAEHXZDT-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-5-phenylphenyl)dibenzothiophene
CID 175911263
4-chloro-2-phenyl-6-triphenylen-1-ylbenzonitrile
CID 176994508
1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
CID 156896575
9-(5-xanthen-10-ium-9-ylbenzo[h]triphenylen-4-yl)xanthen-10-ium
CID 102332383
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline
CID 153357627
1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
CID 160935690
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1,2-dinaphthalen-1-yl-3-phenyltriphenylene
CID 166133469
5,12-bis(2,6-dichlorophenyl)-6,13-diiodo-1,8-diphenylnaphtho[1,2-b]phenanthrene
CID 138980258
4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine
CID 166134538

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)triphenylene?
The IUPAC name of 1-(3,5-dichlorophenyl)triphenylene (CID 156653515) is 1-(3,5-dichlorophenyl)triphenylene.
What is the SMILES notation for 1-(3,5-dichlorophenyl)triphenylene?
The canonical SMILES for 1-(3,5-dichlorophenyl)triphenylene is Clc1cc(Cl)cc(-c2cccc3c4ccccc4c4ccccc4c23)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)triphenylene?
The InChIKey is BWGVLRFAEHXZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2/c25-16-12-15(13-17(26)14-16)18-10-5-11-23-21-7-2-1-6-19(21)20-8-3-4-9-22(20)24(18)23/h1-14H.
What are the key properties of 1-(3,5-dichlorophenyl)triphenylene?
1-(3,5-dichlorophenyl)triphenylene has a molecular weight of 373.28 g/mol, XLogP of 8.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)triphenylene is sourced from PubChem (CID 156653515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).