5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran

C56H38O — CID 167402638

IUPAC5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran
SMILESC1=CC2C(c3ccccc3)=Cc3oc4ccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c5)cc4c3C2C=C1
InChIInChI=1S/C56H38O/c1-4-13-37(14-5-1)40-19-12-20-41(29-40)47-32-48(45-26-25-43-30-42(23-24-44(43)31-45)38-15-6-2-7-16-38)34-49(33-47)46-27-28-54-53(35-46)56-51-22-11-10-21-50(51)52(36-55(56)57-54)39-17-8-3-9-18-39/h1-36,50-51H
InChIKeySERJRJSQUVGANF-UHFFFAOYSA-N
MW726.92 g/mol
LogP15.30
Rot. Bonds6

About 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran

5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran (PubChem CID 167402638) has the molecular formula C56H38O and a molecular weight of 726.92 g/mol. Its IUPAC name is 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran
PubChem CID167402638
Molecular FormulaC56H38O
Molecular Weight726.92 g/mol
Exact Mass726.29
IUPAC Name5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran
SMILESC1=CC2C(c3ccccc3)=Cc3oc4ccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c5)cc4c3C2C=C1
InChIInChI=1S/C56H38O/c1-4-13-37(14-5-1)40-19-12-20-41(29-40)47-32-48(45-26-25-43-30-42(23-24-44(43)31-45)38-15-6-2-7-16-38)34-49(33-47)46-27-28-54-53(35-46)56-51-22-11-10-21-50(51)52(36-55(56)57-54)39-17-8-3-9-18-39/h1-36,50-51H
InChIKeySERJRJSQUVGANF-UHFFFAOYSA-N
XLogP15.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
CID 167402211
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
CID 167402080
2-[3,6-diphenyl-4-(trifluoromethyl)naphthalen-1-yl]-11-methyl-10a,11-dihydronaphtho[2,3-b][1]benzofuran
CID 163803708
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
14-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)-18-oxatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),2,4,6,9,12(17),13,15-octaene
CID 144703600
9-(9,10-diphenylanthracen-2-yl)-4a,11c-dihydronaphtho[2,1-b][1]benzofuran
CID 88995155
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran?
The IUPAC name of 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran (CID 167402638) is 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran is C1=CC2C(c3ccccc3)=Cc3oc4ccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c5)cc4c3C2C=C1.
What is the InChIKey of 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran?
The InChIKey is SERJRJSQUVGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38O/c1-4-13-37(14-5-1)40-19-12-20-41(29-40)47-32-48(45-26-25-43-30-42(23-24-44(43)31-45)38-15-6-2-7-16-38)34-49(33-47)46-27-28-54-53(35-46)56-51-22-11-10-21-50(51)52(36-55(56)57-54)39-17-8-3-9-18-39/h1-36,50-51H.
What are the key properties of 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran?
5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran has a molecular weight of 726.92 g/mol, XLogP of 15.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10-[3-(6-phenylnaphthalen-2-yl)-5-(3-phenylphenyl)phenyl]-4a,11c-dihydronaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 167402638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).