3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran

C38H23ClO — CID 169040050

IUPAC3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran
SMILESClc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)c1
InChIInChI=1S/C38H23ClO/c39-30-17-19-33(29-16-18-35-34-9-3-4-11-37(34)40-38(35)22-29)36(23-30)28-15-13-25-20-27(14-12-26(25)21-28)32-10-5-7-24-6-1-2-8-31(24)32/h1-23H
InChIKeyWWPPTHCGYYMNEV-UHFFFAOYSA-N
MW531.05 g/mol
LogP11.55
Rot. Bonds3

About 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran

3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran (PubChem CID 169040050) has the molecular formula C38H23ClO and a molecular weight of 531.05 g/mol. Its IUPAC name is 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran
PubChem CID169040050
Molecular FormulaC38H23ClO
Molecular Weight531.05 g/mol
Exact Mass530.14
IUPAC Name3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran
SMILESClc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)c1
InChIInChI=1S/C38H23ClO/c39-30-17-19-33(29-16-18-35-34-9-3-4-11-37(34)40-38(35)22-29)36(23-30)28-15-13-25-20-27(14-12-26(25)21-28)32-10-5-7-24-6-1-2-8-31(24)32/h1-23H
InChIKeyWWPPTHCGYYMNEV-UHFFFAOYSA-N
XLogP11.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.05
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 155430748
7-chloro-2-naphthalen-1-yldibenzofuran
CID 171597258
2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244681
7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415800
3-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 122426333
3-naphthalen-2-yldibenzofuran
CID 68932481
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 146652375
3-naphthalen-2-yl-7-[6-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]dibenzofuran;3-naphthalen-2-yl-7-[6-(5-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]dibenzofuran;3-naphthalen-2-yl-7-[6-(2-phenanthren-9-ylphenyl)naphthalen-2-yl]dibenzofuran;3-naphthalen-2-yl-7-[7-(2-phenanthren-9-ylphenyl)naphthalen-2-yl]dibenzofuran
CID 161351984
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
2-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran?
The IUPAC name of 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran (CID 169040050) is 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran.
What is the SMILES notation for 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran?
The canonical SMILES for 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran is Clc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)c1.
What is the InChIKey of 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran?
The InChIKey is WWPPTHCGYYMNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23ClO/c39-30-17-19-33(29-16-18-35-34-9-3-4-11-37(34)40-38(35)22-29)36(23-30)28-15-13-25-20-27(14-12-26(25)21-28)32-10-5-7-24-6-1-2-8-31(24)32/h1-23H.
What are the key properties of 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran?
3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran has a molecular weight of 531.05 g/mol, XLogP of 11.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran is sourced from PubChem (CID 169040050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).