4-bromo-1-chloro-5-phenylnaphthalene

C16H10BrCl — CID 171751461

IUPAC4-bromo-1-chloro-5-phenylnaphthalene
SMILESClc1ccc(Br)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C16H10BrCl/c17-14-9-10-15(18)13-8-4-7-12(16(13)14)11-5-2-1-3-6-11/h1-10H
InChIKeyNTAHLVLHQVOEMW-UHFFFAOYSA-N
MW317.61 g/mol
LogP5.92
Rot. Bonds1

About 4-bromo-1-chloro-5-phenylnaphthalene

4-bromo-1-chloro-5-phenylnaphthalene (PubChem CID 171751461) has the molecular formula C16H10BrCl and a molecular weight of 317.61 g/mol. Its IUPAC name is 4-bromo-1-chloro-5-phenylnaphthalene.

Molecular Properties

Compound Name4-bromo-1-chloro-5-phenylnaphthalene
PubChem CID171751461
Molecular FormulaC16H10BrCl
Molecular Weight317.61 g/mol
Exact Mass315.97
IUPAC Name4-bromo-1-chloro-5-phenylnaphthalene
SMILESClc1ccc(Br)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C16H10BrCl/c17-14-9-10-15(18)13-8-4-7-12(16(13)14)11-5-2-1-3-6-11/h1-10H
InChIKeyNTAHLVLHQVOEMW-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.61
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-dibromo-1-phenylnaphthalene
CID 155350544
8-bromo-5-chloronaphthalene-1-carboxylic acid
CID 170119211
1-bromo-2-chloro-3-phenylbenzene
CID 14452537
2-bromo-1,5-diphenylnaphthalene
CID 151219603
3,10-dibromo-1,7-bis(2-phenylphenyl)perylene
CID 155342209
2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155450656
1-bromo-5-chloroacenaphthylene
CID 141476110
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran
CID 158807275
1,6-diphenyldibenzofuran
CID 145331756
6-chloro-10-phenylnaphtho[1,2-b][1]benzofuran
CID 176775460
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-5-phenylnaphthalene?
The IUPAC name of 4-bromo-1-chloro-5-phenylnaphthalene (CID 171751461) is 4-bromo-1-chloro-5-phenylnaphthalene.
What is the SMILES notation for 4-bromo-1-chloro-5-phenylnaphthalene?
The canonical SMILES for 4-bromo-1-chloro-5-phenylnaphthalene is Clc1ccc(Br)c2c(-c3ccccc3)cccc12.
What is the InChIKey of 4-bromo-1-chloro-5-phenylnaphthalene?
The InChIKey is NTAHLVLHQVOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl/c17-14-9-10-15(18)13-8-4-7-12(16(13)14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 4-bromo-1-chloro-5-phenylnaphthalene?
4-bromo-1-chloro-5-phenylnaphthalene has a molecular weight of 317.61 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-5-phenylnaphthalene is sourced from PubChem (CID 171751461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).