2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene

C34H33Cl — CID 177096980

IUPAC2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene
SMILESCC(C)(C)c1ccc2cc(-c3cccc(Cl)c3-c3ccc4cc(C(C)(C)C)ccc4c3)ccc2c1
InChIInChI=1S/C34H33Cl/c1-33(2,3)28-16-14-22-18-26(12-10-24(22)20-28)30-8-7-9-31(35)32(30)27-13-11-25-21-29(34(4,5)6)17-15-23(25)19-27/h7-21H,1-6H3
InChIKeyVNHXOBMXNHAPGT-UHFFFAOYSA-N
MW477.09 g/mol
LogP10.58
Rot. Bonds2

About 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene

2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene (PubChem CID 177096980) has the molecular formula C34H33Cl and a molecular weight of 477.09 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene
PubChem CID177096980
Molecular FormulaC34H33Cl
Molecular Weight477.09 g/mol
Exact Mass476.23
IUPAC Name2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene
SMILESCC(C)(C)c1ccc2cc(-c3cccc(Cl)c3-c3ccc4cc(C(C)(C)C)ccc4c3)ccc2c1
InChIInChI=1S/C34H33Cl/c1-33(2,3)28-16-14-22-18-26(12-10-24(22)20-28)30-8-7-9-31(35)32(30)27-13-11-25-21-29(34(4,5)6)17-15-23(25)19-27/h7-21H,1-6H3
InChIKeyVNHXOBMXNHAPGT-UHFFFAOYSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.09
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 118868504
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CID 159502457
4-tert-butyl-2-(2-chlorophenyl)-1-fluorobenzene
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7-tert-butyl-1-(6-phenanthren-1-ylnaphthalen-2-yl)pyrene
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9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene?
The IUPAC name of 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene (CID 177096980) is 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene.
What is the SMILES notation for 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene?
The canonical SMILES for 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene is CC(C)(C)c1ccc2cc(-c3cccc(Cl)c3-c3ccc4cc(C(C)(C)C)ccc4c3)ccc2c1.
What is the InChIKey of 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene?
The InChIKey is VNHXOBMXNHAPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33Cl/c1-33(2,3)28-16-14-22-18-26(12-10-24(22)20-28)30-8-7-9-31(35)32(30)27-13-11-25-21-29(34(4,5)6)17-15-23(25)19-27/h7-21H,1-6H3.
What are the key properties of 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene?
2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene has a molecular weight of 477.09 g/mol, XLogP of 10.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(6-tert-butylnaphthalen-2-yl)-3-chlorophenyl]naphthalene is sourced from PubChem (CID 177096980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).