2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran

C38H26O — CID 70972681

IUPAC2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
SMILESC1=Cc2cccc(-c3ccc4oc5ccc(-c6cc7ccccc7cc6-c6ccccc6)cc5c4c3)c2CC1
InChIInChI=1S/C38H26O/c1-2-9-26(10-3-1)33-21-27-12-4-5-13-28(27)22-34(33)30-18-20-38-36(24-30)35-23-29(17-19-37(35)39-38)32-16-8-14-25-11-6-7-15-31(25)32/h1-6,8-14,16-24H,7,15H2
InChIKeyCZHUSMRXUGHFOF-UHFFFAOYSA-N
MW498.63 g/mol
LogP10.70
Rot. Bonds3

About 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran

2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran (PubChem CID 70972681) has the molecular formula C38H26O and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
PubChem CID70972681
Molecular FormulaC38H26O
Molecular Weight498.63 g/mol
Exact Mass498.20
IUPAC Name2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
SMILESC1=Cc2cccc(-c3ccc4oc5ccc(-c6cc7ccccc7cc6-c6ccccc6)cc5c4c3)c2CC1
InChIInChI=1S/C38H26O/c1-2-9-26(10-3-1)33-21-27-12-4-5-13-28(27)22-34(33)30-18-20-38-36(24-30)35-23-29(17-19-37(35)39-38)32-16-8-14-25-11-6-7-15-31(25)32/h1-6,8-14,16-24H,7,15H2
InChIKeyCZHUSMRXUGHFOF-UHFFFAOYSA-N
XLogP10.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143300944
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline
CID 118145847
2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189614
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
2-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-8-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 170220980
2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545376
2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 145436557
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
7-[10-(2-phenylphenyl)-3,4-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 144583429
2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran?
The IUPAC name of 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran (CID 70972681) is 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran.
What is the SMILES notation for 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran?
The canonical SMILES for 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran is C1=Cc2cccc(-c3ccc4oc5ccc(-c6cc7ccccc7cc6-c6ccccc6)cc5c4c3)c2CC1.
What is the InChIKey of 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran?
The InChIKey is CZHUSMRXUGHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O/c1-2-9-26(10-3-1)33-21-27-12-4-5-13-28(27)22-34(33)30-18-20-38-36(24-30)35-23-29(17-19-37(35)39-38)32-16-8-14-25-11-6-7-15-31(25)32/h1-6,8-14,16-24H,7,15H2.
What are the key properties of 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran?
2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran has a molecular weight of 498.63 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran is sourced from PubChem (CID 70972681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).