1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran

C38H24O2 — CID 135208618

IUPAC1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
SMILESC1=Cc2c(oc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cccc23)CC1
InChIInChI=1S/C38H24O2/c1-3-14-26-24(12-1)35(30-18-10-22-34-37(30)29-16-6-8-21-33(29)39-34)25-13-2-4-15-27(25)36(26)31-19-9-17-28-23-11-5-7-20-32(23)40-38(28)31/h1-6,8-19,21-22H,7,20H2
InChIKeyNYQKPAIMGBUDMB-UHFFFAOYSA-N
MW512.61 g/mol
LogP10.93
Rot. Bonds2

About 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran

1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran (PubChem CID 135208618) has the molecular formula C38H24O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
PubChem CID135208618
Molecular FormulaC38H24O2
Molecular Weight512.61 g/mol
Exact Mass512.18
IUPAC Name1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
SMILESC1=Cc2c(oc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cccc23)CC1
InChIInChI=1S/C38H24O2/c1-3-14-26-24(12-1)35(30-18-10-22-34-37(30)29-16-6-8-21-33(29)39-34)25-13-2-4-15-27(25)36(26)31-19-9-17-28-23-11-5-7-20-32(23)40-38(28)31/h1-6,8-19,21-22H,7,20H2
InChIKeyNYQKPAIMGBUDMB-UHFFFAOYSA-N
XLogP10.93
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 510.93
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

11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 167008000
5-(10-phenyl-1,2-dihydroanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 174288134
9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176744625
2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743573
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),18-octaene
CID 149414760
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149
7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205203
6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3,4-dihydronaphtho[2,3-b][1]benzofuran
CID 166036350
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205350

Frequently Asked Questions

What is the IUPAC name of 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran (CID 135208618) is 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran is C1=Cc2c(oc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cccc23)CC1.
What is the InChIKey of 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is NYQKPAIMGBUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O2/c1-3-14-26-24(12-1)35(30-18-10-22-34-37(30)29-16-6-8-21-33(29)39-34)25-13-2-4-15-27(25)36(26)31-19-9-17-28-23-11-5-7-20-32(23)40-38(28)31/h1-6,8-19,21-22H,7,20H2.
What are the key properties of 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran?
1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 512.61 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 135208618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).