1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one

C145H103N5O6 — CID 158314326

IUPAC1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.COc1ccc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1C1=C2C(=O)N(C)C(c3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)ccc3OC)=C2C(=O)N1C.O=c1oc2ccc3ccccc3c2cc1-c1ccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C62H44N2O4.C50H39N3.C33H20O2/c1-63-59(53-35-39(27-33-55(53)67-3)43-29-31-51(49-23-11-9-21-45(43)49)47-25-13-17-37-15-5-7-19-41(37)47)57-58(61(63)65)60(64(2)62(57)66)54-36-40(28-34-56(54)68-4)44-30-32-52(50-24-12-10-22-46(44)50)48-26-14-18-38-16-6-8-20-42(38)48;1-50(2,3)40-28-24-39(25-29-40)49-52-51-48(38-22-20-35(21-23-38)34-12-5-4-6-13-34)53(49)41-30-26-37(27-31-41)43-32-33-47(46-18-10-9-17-44(43)46)45-19-11-15-36-14-7-8-16-42(36)45;34-33-31(20-30-24-12-4-2-9-22(24)16-19-32(30)35-33)29-18-17-28(26-13-5-6-14-27(26)29)25-15-7-10-21-8-1-3-11-23(21)25/h5-36H,1-4H3;4-33H,1-3H3;1-20H
InChIKeyGOBNQPZSEVBVAC-UHFFFAOYSA-N
MW2011.45 g/mol
LogP35.84
Rot. Bonds16

About 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one

1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one (PubChem CID 158314326) has the molecular formula C145H103N5O6 and a molecular weight of 2011.45 g/mol. Its IUPAC name is 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one.

Molecular Properties

Compound Name1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one
PubChem CID158314326
Molecular FormulaC145H103N5O6
Molecular Weight2011.45 g/mol
Exact Mass2009.79
IUPAC Name1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.COc1ccc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1C1=C2C(=O)N(C)C(c3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)ccc3OC)=C2C(=O)N1C.O=c1oc2ccc3ccccc3c2cc1-c1ccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C62H44N2O4.C50H39N3.C33H20O2/c1-63-59(53-35-39(27-33-55(53)67-3)43-29-31-51(49-23-11-9-21-45(43)49)47-25-13-17-37-15-5-7-19-41(37)47)57-58(61(63)65)60(64(2)62(57)66)54-36-40(28-34-56(54)68-4)44-30-32-52(50-24-12-10-22-46(44)50)48-26-14-18-38-16-6-8-20-42(38)48;1-50(2,3)40-28-24-39(25-29-40)49-52-51-48(38-22-20-35(21-23-38)34-12-5-4-6-13-34)53(49)41-30-26-37(27-31-41)43-32-33-47(46-18-10-9-17-44(43)46)45-19-11-15-36-14-7-8-16-42(36)45;34-33-31(20-30-24-12-4-2-9-22(24)16-19-32(30)35-33)29-18-17-28(26-13-5-6-14-27(26)29)25-15-7-10-21-8-1-3-11-23(21)25/h5-36H,1-4H3;4-33H,1-3H3;1-20H
InChIKeyGOBNQPZSEVBVAC-UHFFFAOYSA-N
XLogP35.84
TPSA120.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002011.45
LogP ≤ 535.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
3-[4-(2,8-dinaphthalen-1-yldibenzofuran-4-yl)phenyl]-4,5-diphenyl-1,2,4-triazole
CID 58518677
2,5-dimethyl-1-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 58273470
1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-methyl-2H-pyrrolo[3,4-c]pyrrole-3,6-dione
CID 71211540
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887
2,5-dimethyl-1,4-dinaphthalen-1-ylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 22648583
2-[4-(4-tert-butylphenyl)-5-(6-naphthalen-1-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenanthren-9-yl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[4-(4-tert-butylphenyl)-5-(6-phenyl-2-pyridinyl)-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine;2-[5-(4-phenanthren-9-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-6-pyridin-2-ylpyridine
CID 158972051
3-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-4-phenyl-1,2,4-triazole
CID 58518643
3-[2-[2-[4-[5-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501486
CID 161071752
CID 161071752
2-[4-(4-hydroxyphenyl)-6-(3-oxobenzo[f]chromen-2-yl)-2-pyridinyl]benzo[f]chromen-3-one
CID 155812709
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 157458511

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one?
The IUPAC name of 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one (CID 158314326) is 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one.
What is the SMILES notation for 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one?
The canonical SMILES for 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.COc1ccc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1C1=C2C(=O)N(C)C(c3cc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)ccc3OC)=C2C(=O)N1C.O=c1oc2ccc3ccccc3c2cc1-c1ccc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one?
The InChIKey is GOBNQPZSEVBVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2O4.C50H39N3.C33H20O2/c1-63-59(53-35-39(27-33-55(53)67-3)43-29-31-51(49-23-11-9-21-45(43)49)47-25-13-17-37-15-5-7-19-41(37)47)57-58(61(63)65)60(64(2)62(57)66)54-36-40(28-34-56(54)68-4)44-30-32-52(50-24-12-10-22-46(44)50)48-26-14-18-38-16-6-8-20-42(38)48;1-50(2,3)40-28-24-39(25-29-40)49-52-51-48(38-22-20-35(21-23-38)34-12-5-4-6-13-34)53(49)41-30-26-37(27-31-41)43-32-33-47(46-18-10-9-17-44(43)46)45-19-11-15-36-14-7-8-16-42(36)45;34-33-31(20-30-24-12-4-2-9-22(24)16-19-32(30)35-33)29-18-17-28(26-13-5-6-14-27(26)29)25-15-7-10-21-8-1-3-11-23(21)25/h5-36H,1-4H3;4-33H,1-3H3;1-20H.
What are the key properties of 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one?
1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one has a molecular weight of 2011.45 g/mol, XLogP of 35.84, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-methoxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione;3-(4-tert-butylphenyl)-4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[f]chromen-3-one is sourced from PubChem (CID 158314326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).