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

C212H134 — CID 157103294

IUPAC1,6-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
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(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c2)cc1
InChIInChI=1S/2C72H46.C68H42/c1-5-19-47(20-6-1)51-27-17-29-53(43-51)67-45-69(61-37-35-55(49-23-9-3-10-24-49)57-31-13-15-33-59(57)61)65-42-40-64-68(54-30-18-28-52(44-54)48-21-7-2-8-22-48)46-70(66-41-39-63(67)71(65)72(64)66)62-38-36-56(50-25-11-4-12-26-50)58-32-14-16-34-60(58)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
InChIKeyAFZZXXVTCZLYMT-UHFFFAOYSA-N
MW2681.40 g/mol
LogP59.65
Rot. Bonds22

About 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

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 (PubChem CID 157103294) 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(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.

Molecular Properties

Compound Name1,6-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
PubChem CID157103294
Molecular FormulaC212H134
Molecular Weight2681.40 g/mol
Exact Mass2679.05
IUPAC Name1,6-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
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(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c2)cc1
InChIInChI=1S/2C72H46.C68H42/c1-5-19-47(20-6-1)51-27-17-29-53(43-51)67-45-69(61-37-35-55(49-23-9-3-10-24-49)57-31-13-15-33-59(57)61)65-42-40-64-68(54-30-18-28-52(44-54)48-21-7-2-8-22-48)46-70(66-41-39-63(67)71(65)72(64)66)62-38-36-56(50-25-11-4-12-26-50)58-32-14-16-34-60(58)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
InChIKeyAFZZXXVTCZLYMT-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(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
CID 59391099
1,6-bis(3-naphthalen-2-ylphenyl)-3,8-diphenylpyrene
CID 170778813
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
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
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
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6cccc(-c7ccccc7)c6)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c2)cc1.
What is the InChIKey of 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?
The InChIKey is AFZZXXVTCZLYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H46.C68H42/c1-5-19-47(20-6-1)51-27-17-29-53(43-51)67-45-69(61-37-35-55(49-23-9-3-10-24-49)57-31-13-15-33-59(57)61)65-42-40-64-68(54-30-18-28-52(44-54)48-21-7-2-8-22-48)46-70(66-41-39-63(67)71(65)72(64)66)62-38-36-56(50-25-11-4-12-26-50)58-32-14-16-34-60(58)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(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?
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 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(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 is sourced from PubChem (CID 157103294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).