5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran

C54H36O — CID 167402211

IUPAC5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=CC2C(c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5cc(-c6ccccc6)ccc5c4)c3)=Cc3c(oc4cc(-c5ccccc5)ccc34)C2C=C1
InChIInChI=1S/C54H36O/c1-3-11-35(12-4-1)39-21-22-41-29-43(24-23-40(41)28-39)46-30-45(42-20-19-37-15-7-8-16-38(37)27-42)31-47(32-46)51-34-52-49-26-25-44(36-13-5-2-6-14-36)33-53(49)55-54(52)50-18-10-9-17-48(50)51/h1-34,48,50H
InChIKeyJMCQBYAKPZMDHF-UHFFFAOYSA-N
MW700.88 g/mol
LogP14.79
Rot. Bonds5

About 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran

5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran (PubChem CID 167402211) has the molecular formula C54H36O and a molecular weight of 700.88 g/mol. Its IUPAC name is 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
PubChem CID167402211
Molecular FormulaC54H36O
Molecular Weight700.88 g/mol
Exact Mass700.28
IUPAC Name5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=CC2C(c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5cc(-c6ccccc6)ccc5c4)c3)=Cc3c(oc4cc(-c5ccccc5)ccc34)C2C=C1
InChIInChI=1S/C54H36O/c1-3-11-35(12-4-1)39-21-22-41-29-43(24-23-40(41)28-39)46-30-45(42-20-19-37-15-7-8-16-38(37)27-42)31-47(32-46)51-34-52-49-26-25-44(36-13-5-2-6-14-36)33-53(49)55-54(52)50-18-10-9-17-48(50)51/h1-34,48,50H
InChIKeyJMCQBYAKPZMDHF-UHFFFAOYSA-N
XLogP14.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
CID 167402080
5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran
CID 167402638
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 154934269
2-(7-naphthalen-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 142491219
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
CID 171596932
3-naphthalen-2-yldibenzofuran
CID 68932481
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676

Frequently Asked Questions

What is the IUPAC name of 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran (CID 167402211) is 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran is C1=CC2C(c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5cc(-c6ccccc6)ccc5c4)c3)=Cc3c(oc4cc(-c5ccccc5)ccc34)C2C=C1.
What is the InChIKey of 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
The InChIKey is JMCQBYAKPZMDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36O/c1-3-11-35(12-4-1)39-21-22-41-29-43(24-23-40(41)28-39)46-30-45(42-20-19-37-15-7-8-16-38(37)27-42)31-47(32-46)51-34-52-49-26-25-44(36-13-5-2-6-14-36)33-53(49)55-54(52)50-18-10-9-17-48(50)51/h1-34,48,50H.
What are the key properties of 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran has a molecular weight of 700.88 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 167402211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).