6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran

C28H19ClO — CID 164736757

IUPAC6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran
SMILESClc1cccc(C2=CC(c3cc4ccccc4c4c3oc3ccccc34)=CCC2)c1
InChIInChI=1S/C28H19ClO/c29-22-11-6-9-19(16-22)18-8-5-10-20(15-18)25-17-21-7-1-2-12-23(21)27-24-13-3-4-14-26(24)30-28(25)27/h1-4,6-7,9-17H,5,8H2
InChIKeyGWGIOZPJRWNPJP-UHFFFAOYSA-N
MW406.91 g/mol
LogP8.65
Rot. Bonds2

About 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran

6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 164736757) has the molecular formula C28H19ClO and a molecular weight of 406.91 g/mol. Its IUPAC name is 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran
PubChem CID164736757
Molecular FormulaC28H19ClO
Molecular Weight406.91 g/mol
Exact Mass406.11
IUPAC Name6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran
SMILESClc1cccc(C2=CC(c3cc4ccccc4c4c3oc3ccccc34)=CCC2)c1
InChIInChI=1S/C28H19ClO/c29-22-11-6-9-19(16-22)18-8-5-10-20(15-18)25-17-21-7-1-2-12-23(21)27-24-13-3-4-14-26(24)30-28(25)27/h1-4,6-7,9-17H,5,8H2
InChIKeyGWGIOZPJRWNPJP-UHFFFAOYSA-N
XLogP8.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(7-chloronaphthalen-2-yl)naphtho[2,1-b][1]benzofuran
CID 177271135
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
[8-(5-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-yl]methanamine
CID 145447503
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
20-[5-(10-phenylanthracen-9-yl)cyclohexa-1,5-dien-1-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 163563234
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 142515649
6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 123620919
2-(4-naphtho[2,1-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 158469759
2-phenyl-3-[3-[2-(5-phenylcyclohexa-1,5-dien-1-yl)-8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 123731078
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 134337496

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran (CID 164736757) is 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran is Clc1cccc(C2=CC(c3cc4ccccc4c4c3oc3ccccc34)=CCC2)c1.
What is the InChIKey of 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is GWGIOZPJRWNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClO/c29-22-11-6-9-19(16-22)18-8-5-10-20(15-18)25-17-21-7-1-2-12-23(21)27-24-13-3-4-14-26(24)30-28(25)27/h1-4,6-7,9-17H,5,8H2.
What are the key properties of 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran?
6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 406.91 g/mol, XLogP of 8.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chlorophenyl)cyclohexa-1,5-dien-1-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 164736757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).