3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol

C34H23ClO — CID 177437957

IUPAC3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol
SMILESOc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C34H23ClO/c35-27-21-28-30(23-13-5-1-6-14-23)31(24-15-7-2-8-16-24)32(25-17-9-3-10-18-25)33(34(28)29(36)22-27)26-19-11-4-12-20-26/h1-22,36H
InChIKeyLPBVNJUUJMPOCH-UHFFFAOYSA-N
MW483.01 g/mol
LogP9.87
Rot. Bonds4

About 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol

3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol (PubChem CID 177437957) has the molecular formula C34H23ClO and a molecular weight of 483.01 g/mol. Its IUPAC name is 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol.

Molecular Properties

Compound Name3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol
PubChem CID177437957
Molecular FormulaC34H23ClO
Molecular Weight483.01 g/mol
Exact Mass482.14
IUPAC Name3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol
SMILESOc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C34H23ClO/c35-27-21-28-30(23-13-5-1-6-14-23)31(24-15-7-2-8-16-24)32(25-17-9-3-10-18-25)33(34(28)29(36)22-27)26-19-11-4-12-20-26/h1-22,36H
InChIKeyLPBVNJUUJMPOCH-UHFFFAOYSA-N
XLogP9.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 59.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 170563518
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2-(3-chloro-5-phenylphenyl)phenol
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3-chloronaphthalen-1-ol
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5-chloro-2,3-diphenyl-1-benzothiophene
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(5,6,7,8-tetraphenylnaphthalen-2-yl)boronic acid
CID 156787902
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
1,1'-biphenyl;2-chlorophenol
CID 174555563
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
phenol;2,3,5-trichlorophenol
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CID 174572078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol?
The IUPAC name of 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol (CID 177437957) is 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol.
What is the SMILES notation for 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol?
The canonical SMILES for 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol is Oc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol?
The InChIKey is LPBVNJUUJMPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClO/c35-27-21-28-30(23-13-5-1-6-14-23)31(24-15-7-2-8-16-24)32(25-17-9-3-10-18-25)33(34(28)29(36)22-27)26-19-11-4-12-20-26/h1-22,36H.
What are the key properties of 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol?
3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol has a molecular weight of 483.01 g/mol, XLogP of 9.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol is sourced from PubChem (CID 177437957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).