1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene

C256H160 — CID 161048400

IUPAC1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2cc(-c3cccc4ccccc34)c3ccc4ccc(-c5cccc6ccccc56)c5ccc2c3c45)cc1.c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc2c3c54)cc1.c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccc2c3c54)cc1.c1ccc2c(-c3ccc4ccc5c(-c6cccc7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6ccc3c4c56)cccc2c1.c1ccc2cc(-c3cc(-c4cccc5ccccc45)c4ccc5ccc(-c6cccc7ccccc67)c6ccc3c4c56)ccc2c1
InChIInChI=1S/2C56H36.C50H30.C48H30.C46H28/c1-3-15-38(16-4-1)45-22-9-11-24-47(45)49-30-28-40-29-31-52-54(48-25-12-10-23-46(48)39-17-5-2-6-18-39)36-53(51-33-32-50(49)55(40)56(51)52)44-21-13-20-42(35-44)43-27-26-37-14-7-8-19-41(37)34-43;1-3-14-39(15-4-1)45-19-9-11-21-47(45)49-31-29-42-30-32-52-54(48-22-12-10-20-46(48)40-16-5-2-6-17-40)36-53(51-34-33-50(49)55(42)56(51)52)41-26-23-38(24-27-41)44-28-25-37-13-7-8-18-43(37)35-44;1-4-16-35-31(11-1)14-9-21-39(35)42-25-23-33-24-26-44-47(40-22-10-15-32-12-2-5-17-36(32)40)30-48(45-28-27-43(42)49(33)50(44)45)46-29-34-13-3-6-18-37(34)38-19-7-8-20-41(38)46;1-2-12-31(13-3-1)36-20-8-9-21-39(36)45-30-46(40-23-11-17-33-15-5-7-19-37(33)40)43-27-25-34-24-26-41(42-28-29-44(45)48(43)47(34)42)38-22-10-16-32-14-4-6-18-35(32)38;1-2-12-33-27-34(20-19-29(33)9-1)43-28-44(38-18-8-14-31-11-4-6-16-36(31)38)42-24-22-32-21-23-39(40-25-26-41(43)46(42)45(32)40)37-17-7-13-30-10-3-5-15-35(30)37/h2*1-36H;1-30H;1-30H;1-28H
InChIKeyUBUPDUBAKNZOPE-UHFFFAOYSA-N
MW3236.10 g/mol
LogP72.28
Rot. Bonds22

About 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene

1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene (PubChem CID 161048400) has the molecular formula C256H160 and a molecular weight of 3236.10 g/mol. Its IUPAC name is 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene.

Molecular Properties

Compound Name1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene
PubChem CID161048400
Molecular FormulaC256H160
Molecular Weight3236.10 g/mol
Exact Mass3233.25
IUPAC Name1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2cc(-c3cccc4ccccc34)c3ccc4ccc(-c5cccc6ccccc56)c5ccc2c3c45)cc1.c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc2c3c54)cc1.c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccc2c3c54)cc1.c1ccc2c(-c3ccc4ccc5c(-c6cccc7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6ccc3c4c56)cccc2c1.c1ccc2cc(-c3cc(-c4cccc5ccccc45)c4ccc5ccc(-c6cccc7ccccc67)c6ccc3c4c56)ccc2c1
InChIInChI=1S/2C56H36.C50H30.C48H30.C46H28/c1-3-15-38(16-4-1)45-22-9-11-24-47(45)49-30-28-40-29-31-52-54(48-25-12-10-23-46(48)39-17-5-2-6-18-39)36-53(51-33-32-50(49)55(40)56(51)52)44-21-13-20-42(35-44)43-27-26-37-14-7-8-19-41(37)34-43;1-3-14-39(15-4-1)45-19-9-11-21-47(45)49-31-29-42-30-32-52-54(48-22-12-10-20-46(48)40-16-5-2-6-17-40)36-53(51-34-33-50(49)55(42)56(51)52)41-26-23-38(24-27-41)44-28-25-37-13-7-8-18-43(37)35-44;1-4-16-35-31(11-1)14-9-21-39(35)42-25-23-33-24-26-44-47(40-22-10-15-32-12-2-5-17-36(32)40)30-48(45-28-27-43(42)49(33)50(44)45)46-29-34-13-3-6-18-37(34)38-19-7-8-20-41(38)46;1-2-12-31(13-3-1)36-20-8-9-21-39(36)45-30-46(40-23-11-17-33-15-5-7-19-37(33)40)43-27-25-34-24-26-41(42-28-29-44(45)48(43)47(34)42)38-22-10-16-32-14-4-6-18-35(32)38;1-2-12-33-27-34(20-19-29(33)9-1)43-28-44(38-18-8-14-31-11-4-6-16-36(31)38)42-24-22-32-21-23-39(40-25-26-41(43)46(42)45(32)40)37-17-7-13-30-10-3-5-15-35(30)37/h2*1-36H;1-30H;1-30H;1-28H
InChIKeyUBUPDUBAKNZOPE-UHFFFAOYSA-N
XLogP72.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms256
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003236.10
LogP ≤ 572.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene with MolForge

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Related Compounds

1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;1,6-dinaphthalen-1-yl-3-(3-phenylphenyl)pyrene;1,6-diphenyl-3-(4-phenylphenyl)pyrene
CID 159825914
1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene
CID 160969963
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
1-naphthalen-1-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-naphthalen-2-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 160835629
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene;3-(4-phenylphenyl)-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 158357725
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(3-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 157103294
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 159827500
1,6-di(phenanthren-9-yl)-3-(4-phenylphenyl)pyrene
CID 123971981
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264

Frequently Asked Questions

What is the IUPAC name of 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene?
The IUPAC name of 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene (CID 161048400) is 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene.
What is the SMILES notation for 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene?
The canonical SMILES for 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene is c1ccc(-c2ccccc2-c2cc(-c3cccc4ccccc34)c3ccc4ccc(-c5cccc6ccccc56)c5ccc2c3c45)cc1.c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc2c3c54)cc1.c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccc2c3c54)cc1.c1ccc2c(-c3ccc4ccc5c(-c6cccc7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6ccc3c4c56)cccc2c1.c1ccc2cc(-c3cc(-c4cccc5ccccc45)c4ccc5ccc(-c6cccc7ccccc67)c6ccc3c4c56)ccc2c1.
What is the InChIKey of 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene?
The InChIKey is UBUPDUBAKNZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H36.C50H30.C48H30.C46H28/c1-3-15-38(16-4-1)45-22-9-11-24-47(45)49-30-28-40-29-31-52-54(48-25-12-10-23-46(48)39-17-5-2-6-18-39)36-53(51-33-32-50(49)55(40)56(51)52)44-21-13-20-42(35-44)43-27-26-37-14-7-8-19-41(37)34-43;1-3-14-39(15-4-1)45-19-9-11-21-47(45)49-31-29-42-30-32-52-54(48-22-12-10-20-46(48)40-16-5-2-6-17-40)36-53(51-34-33-50(49)55(42)56(51)52)41-26-23-38(24-27-41)44-28-25-37-13-7-8-18-43(37)35-44;1-4-16-35-31(11-1)14-9-21-39(35)42-25-23-33-24-26-44-47(40-22-10-15-32-12-2-5-17-36(32)40)30-48(45-28-27-43(42)49(33)50(44)45)46-29-34-13-3-6-18-37(34)38-19-7-8-20-41(38)46;1-2-12-31(13-3-1)36-20-8-9-21-39(36)45-30-46(40-23-11-17-33-15-5-7-19-37(33)40)43-27-25-34-24-26-41(42-28-29-44(45)48(43)47(34)42)38-22-10-16-32-14-4-6-18-35(32)38;1-2-12-33-27-34(20-19-29(33)9-1)43-28-44(38-18-8-14-31-11-4-6-16-36(31)38)42-24-22-32-21-23-39(40-25-26-41(43)46(42)45(32)40)37-17-7-13-30-10-3-5-15-35(30)37/h2*1-36H;1-30H;1-30H;1-28H.
What are the key properties of 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene?
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene has a molecular weight of 3236.10 g/mol, XLogP of 72.28, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene is sourced from PubChem (CID 161048400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).