1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran

C38H20Cl2O2 — CID 175332614

IUPAC1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran
SMILESClc1ccc2oc3cc(-c4c5ccccc5c(-c5cccc6c5oc5cccc(Cl)c56)c5ccccc45)ccc3c2c1
InChIInChI=1S/C38H20Cl2O2/c39-22-16-18-32-30(20-22)23-17-15-21(19-34(23)41-32)35-24-7-1-3-9-26(24)36(27-10-4-2-8-25(27)35)28-11-5-12-29-37-31(40)13-6-14-33(37)42-38(28)29/h1-20H
InChIKeyZNJAEEJDHJBCJZ-UHFFFAOYSA-N
MW579.48 g/mol
LogP12.43
Rot. Bonds2

About 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran

1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran (PubChem CID 175332614) has the molecular formula C38H20Cl2O2 and a molecular weight of 579.48 g/mol. Its IUPAC name is 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran
PubChem CID175332614
Molecular FormulaC38H20Cl2O2
Molecular Weight579.48 g/mol
Exact Mass578.08
IUPAC Name1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran
SMILESClc1ccc2oc3cc(-c4c5ccccc5c(-c5cccc6c5oc5cccc(Cl)c56)c5ccccc45)ccc3c2c1
InChIInChI=1S/C38H20Cl2O2/c39-22-16-18-32-30(20-22)23-17-15-21(19-34(23)41-32)35-24-7-1-3-9-26(24)36(27-10-4-2-8-25(27)35)28-11-5-12-29-37-31(40)13-6-14-33(37)42-38(28)29/h1-20H
InChIKeyZNJAEEJDHJBCJZ-UHFFFAOYSA-N
XLogP12.43
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.48
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314427
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
7-[10-([1]benzofuro[3,2-e][1]benzofuran-8-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174264120
3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298
3-(1,2,3,4,5,6,7,8-octadeuterio-10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 153436590
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
17-(10-naphthalen-1-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122415718
7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176746173
8-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176743779
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran (CID 175332614) is 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran is Clc1ccc2oc3cc(-c4c5ccccc5c(-c5cccc6c5oc5cccc(Cl)c56)c5ccccc45)ccc3c2c1.
What is the InChIKey of 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is ZNJAEEJDHJBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20Cl2O2/c39-22-16-18-32-30(20-22)23-17-15-21(19-34(23)41-32)35-24-7-1-3-9-26(24)36(27-10-4-2-8-25(27)35)28-11-5-12-29-37-31(40)13-6-14-33(37)42-38(28)29/h1-20H.
What are the key properties of 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran?
1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 579.48 g/mol, XLogP of 12.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-[10-(8-chlorodibenzofuran-3-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 175332614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).