2-chloro-1-naphthalen-1-yltriphenylene

C28H17Cl — CID 177294790

IUPAC2-chloro-1-naphthalen-1-yltriphenylene
SMILESClc1ccc2c3ccccc3c3ccccc3c2c1-c1cccc2ccccc12
InChIInChI=1S/C28H17Cl/c29-26-17-16-25-22-13-4-3-11-20(22)21-12-5-6-14-24(21)27(25)28(26)23-15-7-9-18-8-1-2-10-19(18)23/h1-17H
InChIKeyVYYWRJDSMVEQOA-UHFFFAOYSA-N
MW388.90 g/mol
LogP8.62
Rot. Bonds1

About 2-chloro-1-naphthalen-1-yltriphenylene

2-chloro-1-naphthalen-1-yltriphenylene (PubChem CID 177294790) has the molecular formula C28H17Cl and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-chloro-1-naphthalen-1-yltriphenylene.

Molecular Properties

Compound Name2-chloro-1-naphthalen-1-yltriphenylene
PubChem CID177294790
Molecular FormulaC28H17Cl
Molecular Weight388.90 g/mol
Exact Mass388.10
IUPAC Name2-chloro-1-naphthalen-1-yltriphenylene
SMILESClc1ccc2c3ccccc3c3ccccc3c2c1-c1cccc2ccccc12
InChIInChI=1S/C28H17Cl/c29-26-17-16-25-22-13-4-3-11-20(22)21-12-5-6-14-24(21)27(25)28(26)23-15-7-9-18-8-1-2-10-19(18)23/h1-17H
InChIKeyVYYWRJDSMVEQOA-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 58.62
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

1,2-dinaphthalen-1-yltriphenylene
CID 166134407
1,2-dinaphthalen-1-yl-3-phenyltriphenylene
CID 166133469
21,28-dinaphthalen-1-ylheptacyclo[16.12.0.02,11.03,8.012,17.020,29.022,27]triaconta-1(30),2(11),3,5,7,9,12,14,16,18,20,22,24,26,28-pentadecaene
CID 123857565
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
7,14,25,32-tetranaphthalen-1-ylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
CID 59642886
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-naphthalen-1-yltriphenylene?
The IUPAC name of 2-chloro-1-naphthalen-1-yltriphenylene (CID 177294790) is 2-chloro-1-naphthalen-1-yltriphenylene.
What is the SMILES notation for 2-chloro-1-naphthalen-1-yltriphenylene?
The canonical SMILES for 2-chloro-1-naphthalen-1-yltriphenylene is Clc1ccc2c3ccccc3c3ccccc3c2c1-c1cccc2ccccc12.
What is the InChIKey of 2-chloro-1-naphthalen-1-yltriphenylene?
The InChIKey is VYYWRJDSMVEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17Cl/c29-26-17-16-25-22-13-4-3-11-20(22)21-12-5-6-14-24(21)27(25)28(26)23-15-7-9-18-8-1-2-10-19(18)23/h1-17H.
What are the key properties of 2-chloro-1-naphthalen-1-yltriphenylene?
2-chloro-1-naphthalen-1-yltriphenylene has a molecular weight of 388.90 g/mol, XLogP of 8.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-naphthalen-1-yltriphenylene is sourced from PubChem (CID 177294790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).