4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran

C28H17ClO — CID 170665992

IUPAC4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran
SMILESClc1cccc(-c2cccc3c2oc2cc4ccccc4cc23)c1-c1ccccc1
InChIInChI=1S/C28H17ClO/c29-25-15-7-12-21(27(25)18-8-2-1-3-9-18)22-13-6-14-23-24-16-19-10-4-5-11-20(19)17-26(24)30-28(22)23/h1-17H
InChIKeyHDJSDIHBXLVPNA-UHFFFAOYSA-N
MW404.90 g/mol
LogP8.73
Rot. Bonds2

About 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran

4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran (PubChem CID 170665992) has the molecular formula C28H17ClO and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran
PubChem CID170665992
Molecular FormulaC28H17ClO
Molecular Weight404.90 g/mol
Exact Mass404.10
IUPAC Name4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran
SMILESClc1cccc(-c2cccc3c2oc2cc4ccccc4cc23)c1-c1ccccc1
InChIInChI=1S/C28H17ClO/c29-25-15-7-12-21(27(25)18-8-2-1-3-9-18)22-13-6-14-23-24-16-19-10-4-5-11-20(19)17-26(24)30-28(22)23/h1-17H
InChIKeyHDJSDIHBXLVPNA-UHFFFAOYSA-N
XLogP8.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155334696
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 159485403
2-[2-(2-chlorophenyl)phenyl]-6-phenyldibenzofuran
CID 177177846
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 174275436
4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran
CID 167484483
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
2-chloro-4-phenyl-6-[7-[2-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 155096824
N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran (CID 170665992) is 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran is Clc1cccc(-c2cccc3c2oc2cc4ccccc4cc23)c1-c1ccccc1.
What is the InChIKey of 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran?
The InChIKey is HDJSDIHBXLVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClO/c29-25-15-7-12-21(27(25)18-8-2-1-3-9-18)22-13-6-14-23-24-16-19-10-4-5-11-20(19)17-26(24)30-28(22)23/h1-17H.
What are the key properties of 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran?
4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran has a molecular weight of 404.90 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 170665992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).