tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride

C80H60Cl4 — CID 173126408

IUPACtetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/4C20H14.4ClH/c4*1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;;;;/h4*1-14H;4*1H
InChIKeyMLMGDKQDPZXTOV-UHFFFAOYSA-N
MW1163.17 g/mol
LogP24.33
Rot. Bonds4

About tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride

tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride (PubChem CID 173126408) has the molecular formula C80H60Cl4 and a molecular weight of 1163.17 g/mol. Its IUPAC name is tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride.

Molecular Properties

Compound Nametetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
PubChem CID173126408
Molecular FormulaC80H60Cl4
Molecular Weight1163.17 g/mol
Exact Mass1160.34
IUPAC Nametetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/4C20H14.4ClH/c4*1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;;;;/h4*1-14H;4*1H
InChIKeyMLMGDKQDPZXTOV-UHFFFAOYSA-N
XLogP24.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.17
LogP ≤ 524.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-naphthalen-1-ylphenanthrene
CID 20606742
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride?
The IUPAC name of tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride (CID 173126408) is tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride.
What is the SMILES notation for tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride?
The canonical SMILES for tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride is Cl.Cl.Cl.Cl.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride?
The InChIKey is MLMGDKQDPZXTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H14.4ClH/c4*1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;;;;/h4*1-14H;4*1H.
What are the key properties of tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride?
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride has a molecular weight of 1163.17 g/mol, XLogP of 24.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride is sourced from PubChem (CID 173126408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).