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

C212H134 — CID 159827500

IUPAC1,6-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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc7ccccc7c6)c6ccc3c4c65)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c45)cc1
InChIInChI=1S/2C72H46.C68H42/c1-5-21-47(22-6-1)51-29-13-15-33-57(51)67-45-69(61-39-37-53(49-25-9-3-10-26-49)55-31-17-19-35-59(55)61)65-44-42-64-68(58-34-16-14-30-52(58)48-23-7-2-8-24-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-54(50-27-11-4-12-28-50)56-32-18-20-36-60(56)62;1-5-17-47(18-6-1)49-29-33-53(34-30-49)67-45-69(61-39-37-55(51-21-9-3-10-22-51)57-25-13-15-27-59(57)61)65-44-42-64-68(54-35-31-50(32-36-54)48-19-7-2-8-20-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-56(52-23-11-4-12-24-52)58-26-14-16-28-60(58)62;1-3-17-45(18-4-1)51-31-33-57(55-25-13-11-23-53(51)55)65-41-63(49-29-27-43-15-7-9-21-47(43)39-49)59-36-38-62-66(58-34-32-52(46-19-5-2-6-20-46)54-24-12-14-26-56(54)58)42-64(60-35-37-61(65)67(59)68(60)62)50-30-28-44-16-8-10-22-48(44)40-50/h2*1-46H;1-42H
InChIKeyNNALXGIIBCRTTA-UHFFFAOYSA-N
MW2681.40 g/mol
LogP59.65
Rot. Bonds22

About 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

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 (PubChem CID 159827500) has the molecular formula C212H134 and a molecular weight of 2681.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,6-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
PubChem CID159827500
Molecular FormulaC212H134
Molecular Weight2681.40 g/mol
Exact Mass2679.05
IUPAC Name1,6-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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc7ccccc7c6)c6ccc3c4c65)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c45)cc1
InChIInChI=1S/2C72H46.C68H42/c1-5-21-47(22-6-1)51-29-13-15-33-57(51)67-45-69(61-39-37-53(49-25-9-3-10-26-49)55-31-17-19-35-59(55)61)65-44-42-64-68(58-34-16-14-30-52(58)48-23-7-2-8-24-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-54(50-27-11-4-12-28-50)56-32-18-20-36-60(56)62;1-5-17-47(18-6-1)49-29-33-53(34-30-49)67-45-69(61-39-37-55(51-21-9-3-10-22-51)57-25-13-15-27-59(57)61)65-44-42-64-68(54-35-31-50(32-36-54)48-19-7-2-8-20-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-56(52-23-11-4-12-24-52)58-26-14-16-28-60(58)62;1-3-17-45(18-4-1)51-31-33-57(55-25-13-11-23-53(51)55)65-41-63(49-29-27-43-15-7-9-21-47(43)39-49)59-36-38-62-66(58-34-32-52(46-19-5-2-6-20-46)54-24-12-14-26-56(54)58)42-64(60-35-37-61(65)67(59)68(60)62)50-30-28-44-16-8-10-22-48(44)40-50/h2*1-46H;1-42H
InChIKeyNNALXGIIBCRTTA-UHFFFAOYSA-N
XLogP59.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002681.40
LogP ≤ 559.65
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-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 with MolForge

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Related Compounds

3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510
1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
CID 59793090
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
1,6-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-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-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
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
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
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
CID 59391228
1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(2-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(3-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(4-phenylphenyl)pyrene
CID 159896209
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc7ccccc7c6)c6ccc3c4c65)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c45)cc1.
What is the InChIKey of 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?
The InChIKey is NNALXGIIBCRTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H46.C68H42/c1-5-21-47(22-6-1)51-29-13-15-33-57(51)67-45-69(61-39-37-53(49-25-9-3-10-26-49)55-31-17-19-35-59(55)61)65-44-42-64-68(58-34-16-14-30-52(58)48-23-7-2-8-24-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-54(50-27-11-4-12-28-50)56-32-18-20-36-60(56)62;1-5-17-47(18-6-1)49-29-33-53(34-30-49)67-45-69(61-39-37-55(51-21-9-3-10-22-51)57-25-13-15-27-59(57)61)65-44-42-64-68(54-35-31-50(32-36-54)48-19-7-2-8-20-48)46-70(66-43-41-63(67)71(65)72(64)66)62-40-38-56(52-23-11-4-12-24-52)58-26-14-16-28-60(58)62;1-3-17-45(18-4-1)51-31-33-57(55-25-13-11-23-53(51)55)65-41-63(49-29-27-43-15-7-9-21-47(43)39-49)59-36-38-62-66(58-34-32-52(46-19-5-2-6-20-46)54-24-12-14-26-56(54)58)42-64(60-35-37-61(65)67(59)68(60)62)50-30-28-44-16-8-10-22-48(44)40-50/h2*1-46H;1-42H.
What are the key properties of 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?
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 has a molecular weight of 2681.40 g/mol, XLogP of 59.65, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159827500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).