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

C226H140 — CID 160835629

IUPAC1-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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6cc7ccccc7c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c65)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1
InChIInChI=1S/C78H48.2C74H46/c1-4-20-49(21-5-1)54-36-39-65(61-32-16-12-29-58(54)61)73-47-74(66-40-37-55(50-22-6-2-7-23-50)59-30-13-17-33-62(59)66)69-44-45-71-76(72-46-52-26-10-11-27-53(52)57-28-15-19-35-64(57)72)48-75(70-43-42-68(73)77(69)78(70)71)67-41-38-56(51-24-8-3-9-25-51)60-31-14-18-34-63(60)67;1-4-19-47(20-5-1)52-35-38-62(59-31-15-12-28-55(52)59)70-45-69(58-34-18-26-50-25-10-11-27-51(50)58)65-41-42-67-71(63-39-36-53(48-21-6-2-7-22-48)56-29-13-16-32-60(56)63)46-72(68-44-43-66(70)73(65)74(67)68)64-40-37-54(49-23-8-3-9-24-49)57-30-14-17-33-61(57)64;1-4-19-48(20-5-1)53-34-37-62(59-29-15-12-26-56(53)59)70-45-69(52-33-32-47-18-10-11-25-51(47)44-52)65-40-41-67-71(63-38-35-54(49-21-6-2-7-22-49)57-27-13-16-30-60(57)63)46-72(68-43-42-66(70)73(65)74(67)68)64-39-36-55(50-23-8-3-9-24-50)58-28-14-17-31-61(58)64/h1-48H;2*1-46H
InChIKeySHJJDPPOEIKJJS-UHFFFAOYSA-N
MW2855.61 g/mol
LogP63.75
Rot. Bonds21

About 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

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 (PubChem CID 160835629) has the molecular formula C226H140 and a molecular weight of 2855.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID160835629
Molecular FormulaC226H140
Molecular Weight2855.61 g/mol
Exact Mass2853.10
IUPAC Name1-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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6cc7ccccc7c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c65)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1
InChIInChI=1S/C78H48.2C74H46/c1-4-20-49(21-5-1)54-36-39-65(61-32-16-12-29-58(54)61)73-47-74(66-40-37-55(50-22-6-2-7-23-50)59-30-13-17-33-62(59)66)69-44-45-71-76(72-46-52-26-10-11-27-53(52)57-28-15-19-35-64(57)72)48-75(70-43-42-68(73)77(69)78(70)71)67-41-38-56(51-24-8-3-9-25-51)60-31-14-18-34-63(60)67;1-4-19-47(20-5-1)52-35-38-62(59-31-15-12-28-55(52)59)70-45-69(58-34-18-26-50-25-10-11-27-51(50)58)65-41-42-67-71(63-39-36-53(48-21-6-2-7-22-48)56-29-13-16-32-60(56)63)46-72(68-44-43-66(70)73(65)74(67)68)64-40-37-54(49-23-8-3-9-24-49)57-30-14-17-33-61(57)64;1-4-19-48(20-5-1)53-34-37-62(59-29-15-12-26-56(53)59)70-45-69(52-33-32-47-18-10-11-25-51(47)44-52)65-40-41-67-71(63-38-35-54(49-21-6-2-7-22-49)57-27-13-16-30-60(57)63)46-72(68-43-42-66(70)73(65)74(67)68)64-39-36-55(50-23-8-3-9-24-50)58-28-14-17-31-61(58)64/h1-48H;2*1-46H
InChIKeySHJJDPPOEIKJJS-UHFFFAOYSA-N
XLogP63.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms226
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002855.61
LogP ≤ 563.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 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-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
1,6-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(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790
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-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-(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
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
1,6-di(phenanthren-9-yl)-3-(4-phenylphenyl)pyrene
CID 123971981
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4ccc5c(-c6cc7ccccc7c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c65)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6ccc(-c7ccccc7)c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is SHJJDPPOEIKJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48.2C74H46/c1-4-20-49(21-5-1)54-36-39-65(61-32-16-12-29-58(54)61)73-47-74(66-40-37-55(50-22-6-2-7-23-50)59-30-13-17-33-62(59)66)69-44-45-71-76(72-46-52-26-10-11-27-53(52)57-28-15-19-35-64(57)72)48-75(70-43-42-68(73)77(69)78(70)71)67-41-38-56(51-24-8-3-9-25-51)60-31-14-18-34-63(60)67;1-4-19-47(20-5-1)52-35-38-62(59-31-15-12-28-55(52)59)70-45-69(58-34-18-26-50-25-10-11-27-51(50)58)65-41-42-67-71(63-39-36-53(48-21-6-2-7-22-48)56-29-13-16-32-60(56)63)46-72(68-44-43-66(70)73(65)74(67)68)64-40-37-54(49-23-8-3-9-24-49)57-30-14-17-33-61(57)64;1-4-19-48(20-5-1)53-34-37-62(59-29-15-12-26-56(53)59)70-45-69(52-33-32-47-18-10-11-25-51(47)44-52)65-40-41-67-71(63-38-35-54(49-21-6-2-7-22-49)57-27-13-16-30-60(57)63)46-72(68-43-42-66(70)73(65)74(67)68)64-39-36-55(50-23-8-3-9-24-50)58-28-14-17-31-61(58)64/h1-48H;2*1-46H.
What are the key properties of 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?
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 has a molecular weight of 2855.61 g/mol, XLogP of 63.75, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160835629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).