1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione

C50H32N2O4 — CID 118655492

IUPAC1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)=C2C(=O)OC(c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)=C12
InChIInChI=1S/C50H32N2O4/c53-49-45-46(48(56-49)42-30-32-44(40-28-16-14-26-38(40)42)52(35-21-9-3-10-22-35)36-23-11-4-12-24-36)50(54)55-47(45)41-29-31-43(39-27-15-13-25-37(39)41)51(33-17-5-1-6-18-33)34-19-7-2-8-20-34/h1-32H
InChIKeyIAZFIENKKMNNSK-UHFFFAOYSA-N
MW724.82 g/mol
LogP12.17
Rot. Bonds8

About 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione

1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione (PubChem CID 118655492) has the molecular formula C50H32N2O4 and a molecular weight of 724.82 g/mol. Its IUPAC name is 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione.

Molecular Properties

Compound Name1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione
PubChem CID118655492
Molecular FormulaC50H32N2O4
Molecular Weight724.82 g/mol
Exact Mass724.24
IUPAC Name1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione
SMILESO=C1OC(c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)=C2C(=O)OC(c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)=C12
InChIInChI=1S/C50H32N2O4/c53-49-45-46(48(56-49)42-30-32-44(40-28-16-14-26-38(40)42)52(35-21-9-3-10-22-35)36-23-11-4-12-24-36)50(54)55-47(45)41-29-31-43(39-27-15-13-25-37(39)41)51(33-17-5-1-6-18-33)34-19-7-2-8-20-34/h1-32H
InChIKeyIAZFIENKKMNNSK-UHFFFAOYSA-N
XLogP12.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.82
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-3,6-bis[4-(N-phenylanilino)naphthalen-1-yl]-1H-furo[3,4-c]furan-4-one
CID 138459354
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine
CID 121444325
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
CID 59412956
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
4-[10-(2,4-dimethylnaphthalen-1-yl)anthracen-9-yl]-N,N-diphenylnaphthalen-1-amine
CID 135128741
N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]buta-1,3-dienyl]naphthalen-1-amine
CID 58898602
N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine
CID 139256573
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione?
The IUPAC name of 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione (CID 118655492) is 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione.
What is the SMILES notation for 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione?
The canonical SMILES for 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione is O=C1OC(c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)=C2C(=O)OC(c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)=C12.
What is the InChIKey of 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione?
The InChIKey is IAZFIENKKMNNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O4/c53-49-45-46(48(56-49)42-30-32-44(40-28-16-14-26-38(40)42)52(35-21-9-3-10-22-35)36-23-11-4-12-24-36)50(54)55-47(45)41-29-31-43(39-27-15-13-25-37(39)41)51(33-17-5-1-6-18-33)34-19-7-2-8-20-34/h1-32H.
What are the key properties of 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione?
1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione has a molecular weight of 724.82 g/mol, XLogP of 12.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(N-phenylanilino)naphthalen-1-yl]furo[3,4-c]furan-3,6-dione is sourced from PubChem (CID 118655492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).