2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan

C44H28O — CID 143851147

IUPAC2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan
SMILESc1ccc2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7ccccc7c6)c6ccccc56)o4)c4ccccc34)ccc2c1
InChIInChI=1S/C44H28O/c1-3-11-31-27-33(19-17-29(31)9-1)35-21-23-41(39-15-7-5-13-37(35)39)43-25-26-44(45-43)42-24-22-36(38-14-6-8-16-40(38)42)34-20-18-30-10-2-4-12-32(30)28-34/h1-28H
InChIKeyAZRLPAOUVFOHDQ-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan

2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan (PubChem CID 143851147) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan.

Molecular Properties

Compound Name2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan
PubChem CID143851147
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan
SMILESc1ccc2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7ccccc7c6)c6ccccc56)o4)c4ccccc34)ccc2c1
InChIInChI=1S/C44H28O/c1-3-11-31-27-33(19-17-29(31)9-1)35-21-23-41(39-15-7-5-13-37(35)39)43-25-26-44(45-43)42-24-22-36(38-14-6-8-16-40(38)42)34-20-18-30-10-2-4-12-32(30)28-34/h1-28H
InChIKeyAZRLPAOUVFOHDQ-UHFFFAOYSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-iodo-4-naphthalen-2-ylnaphthalene
CID 70902488
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
2-naphthalen-1-ylanthracene
CID 2748705
2-(4-methoxyphenyl)indeno[2,1-b]pyran
CID 822916
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan?
The IUPAC name of 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan (CID 143851147) is 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan.
What is the SMILES notation for 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan?
The canonical SMILES for 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan is c1ccc2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7ccccc7c6)c6ccccc56)o4)c4ccccc34)ccc2c1.
What is the InChIKey of 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan?
The InChIKey is AZRLPAOUVFOHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-3-11-31-27-33(19-17-29(31)9-1)35-21-23-41(39-15-7-5-13-37(35)39)43-25-26-44(45-43)42-24-22-36(38-14-6-8-16-40(38)42)34-20-18-30-10-2-4-12-32(30)28-34/h1-28H.
What are the key properties of 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan?
2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan has a molecular weight of 572.71 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-naphthalen-2-ylnaphthalen-1-yl)furan is sourced from PubChem (CID 143851147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).