6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran

C44H26O2 — CID 176777808

IUPAC6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C44H26O2/c1-2-13-30-27(11-1)12-9-18-31(30)28-23-25-29(26-24-28)40-32-14-3-4-15-33(32)42(44-43(40)35-17-6-8-21-38(35)46-44)36-19-10-22-39-41(36)34-16-5-7-20-37(34)45-39/h1-26H
InChIKeyLJIGFICXRRCVRR-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran

6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran (PubChem CID 176777808) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
PubChem CID176777808
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C44H26O2/c1-2-13-30-27(11-1)12-9-18-31(30)28-23-25-29(26-24-28)40-32-14-3-4-15-33(32)42(44-43(40)35-17-6-8-21-38(35)46-44)36-19-10-22-39-41(36)34-16-5-7-20-37(34)45-39/h1-26H
InChIKeyLJIGFICXRRCVRR-UHFFFAOYSA-N
XLogP12.79
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
11-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426995
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762
6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777650
9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
CID 176777823
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 159932863
11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149
7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 162712152

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran (CID 176777808) is 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran is c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
The InChIKey is LJIGFICXRRCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-2-13-30-27(11-1)12-9-18-31(30)28-23-25-29(26-24-28)40-32-14-3-4-15-33(32)42(44-43(40)35-17-6-8-21-38(35)46-44)36-19-10-22-39-41(36)34-16-5-7-20-37(34)45-39/h1-26H.
What are the key properties of 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran?
6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran has a molecular weight of 586.69 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176777808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).