1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran

C56H32O3 — CID 170363843

IUPAC1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4cccc5oc6c(-c7cccc8oc9cc%10ccccc%10cc9c78)cccc6c45)c3)ccc2c1
InChIInChI=1S/C56H32O3/c1-2-11-34-26-37(23-22-33(34)10-1)39-27-40(38-24-25-44-43-14-5-6-19-49(43)57-52(44)32-38)29-41(28-39)42-15-8-21-51-54(42)47-18-7-17-46(56(47)59-51)45-16-9-20-50-55(45)48-30-35-12-3-4-13-36(35)31-53(48)58-50/h1-32H
InChIKeyNSUOKPCTJGFZMK-UHFFFAOYSA-N
MW752.87 g/mol
LogP16.36
Rot. Bonds4

About 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran

1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 170363843) has the molecular formula C56H32O3 and a molecular weight of 752.87 g/mol. Its IUPAC name is 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran
PubChem CID170363843
Molecular FormulaC56H32O3
Molecular Weight752.87 g/mol
Exact Mass752.24
IUPAC Name1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4cccc5oc6c(-c7cccc8oc9cc%10ccccc%10cc9c78)cccc6c45)c3)ccc2c1
InChIInChI=1S/C56H32O3/c1-2-11-34-26-37(23-22-33(34)10-1)39-27-40(38-24-25-44-43-14-5-6-19-49(43)57-52(44)32-38)29-41(28-39)42-15-8-21-51-54(42)47-18-7-17-46(56(47)59-51)45-16-9-20-50-55(45)48-30-35-12-3-4-13-36(35)31-53(48)58-50/h1-32H
InChIKeyNSUOKPCTJGFZMK-UHFFFAOYSA-N
XLogP16.36
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.87
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-4-yl-1,3,5-triazine
CID 163467218
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163742846
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
3-naphthalen-2-yldibenzofuran
CID 68932481
2-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779522
1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 159387963
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033

Frequently Asked Questions

What is the IUPAC name of 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran (CID 170363843) is 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran is c1ccc2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4cccc5oc6c(-c7cccc8oc9cc%10ccccc%10cc9c78)cccc6c45)c3)ccc2c1.
What is the InChIKey of 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is NSUOKPCTJGFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O3/c1-2-11-34-26-37(23-22-33(34)10-1)39-27-40(38-24-25-44-43-14-5-6-19-49(43)57-52(44)32-38)29-41(28-39)42-15-8-21-51-54(42)47-18-7-17-46(56(47)59-51)45-16-9-20-50-55(45)48-30-35-12-3-4-13-36(35)31-53(48)58-50/h1-32H.
What are the key properties of 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran?
1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 752.87 g/mol, XLogP of 16.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(3-dibenzofuran-3-yl-5-naphthalen-2-ylphenyl)dibenzofuran-4-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 170363843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).