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

C228H144 — CID 159896209

IUPAC1,3,6-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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc3c4c65)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc3c4c56)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc2c3c45)cc1
InChIInChI=1S/3C76H48/c1-2-14-49(15-3-1)59-22-10-23-60(46-59)74-48-73(58-40-34-55(35-41-58)66-29-13-21-52-18-6-9-26-63(52)66)69-43-42-67-71(56-36-30-53(31-37-56)64-27-11-19-50-16-4-7-24-61(50)64)47-72(68-44-45-70(74)76(69)75(67)68)57-38-32-54(33-39-57)65-28-12-20-51-17-5-8-25-62(51)65;1-2-13-49(14-3-1)50-27-29-57(30-28-50)71-47-72(58-37-31-54(32-38-58)64-24-10-18-51-15-4-7-21-61(51)64)68-45-46-70-74(60-41-35-56(36-42-60)66-26-12-20-53-17-6-9-23-63(53)66)48-73(69-44-43-67(71)75(68)76(69)70)59-39-33-55(34-40-59)65-25-11-19-52-16-5-8-22-62(52)65;1-2-15-49(16-3-1)65-26-10-11-27-66(65)74-48-73(58-41-35-55(36-42-58)64-30-14-22-52-19-6-9-25-61(52)64)69-44-43-67-71(56-37-31-53(32-38-56)62-28-12-20-50-17-4-7-23-59(50)62)47-72(68-45-46-70(74)76(69)75(67)68)57-39-33-54(34-40-57)63-29-13-21-51-18-5-8-24-60(51)63/h3*1-48H
InChIKeyNVJJOJGVKBWCNM-UHFFFAOYSA-N
MW2883.66 g/mol
LogP64.14
Rot. Bonds24

About 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

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 (PubChem CID 159896209) has the molecular formula C228H144 and a molecular weight of 2883.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,6-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
PubChem CID159896209
Molecular FormulaC228H144
Molecular Weight2883.66 g/mol
Exact Mass2881.13
IUPAC Name1,3,6-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
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc3c4c65)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc3c4c56)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc2c3c45)cc1
InChIInChI=1S/3C76H48/c1-2-14-49(15-3-1)59-22-10-23-60(46-59)74-48-73(58-40-34-55(35-41-58)66-29-13-21-52-18-6-9-26-63(52)66)69-43-42-67-71(56-36-30-53(31-37-56)64-27-11-19-50-16-4-7-24-61(50)64)47-72(68-44-45-70(74)76(69)75(67)68)57-38-32-54(33-39-57)65-28-12-20-51-17-5-8-25-62(51)65;1-2-13-49(14-3-1)50-27-29-57(30-28-50)71-47-72(58-37-31-54(32-38-58)64-24-10-18-51-15-4-7-21-61(51)64)68-45-46-70-74(60-41-35-56(36-42-60)66-26-12-20-53-17-6-9-23-63(53)66)48-73(69-44-43-67(71)75(68)76(69)70)59-39-33-55(34-40-59)65-25-11-19-52-16-5-8-22-62(52)65;1-2-15-49(16-3-1)65-26-10-11-27-66(65)74-48-73(58-41-35-55(36-42-58)64-30-14-22-52-19-6-9-25-61(52)64)69-44-43-67-71(56-37-31-53(32-38-56)62-28-12-20-50-17-4-7-23-59(50)62)47-72(68-45-46-70(74)76(69)75(67)68)57-39-33-54(34-40-57)63-29-13-21-51-18-5-8-24-60(51)63/h3*1-48H
InChIKeyNVJJOJGVKBWCNM-UHFFFAOYSA-N
XLogP64.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms228
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002883.66
LogP ≤ 564.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741
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-3,8-diphenylpyrene
CID 59391123
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
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-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-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-(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
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790
1-phenyl-3,6,8-tris(3-phenylphenyl)pyrene
CID 59391073

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc3c4c65)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(-c6ccc(-c7cccc8ccccc78)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)c6ccc3c4c56)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc2c3c45)cc1.
What is the InChIKey of 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?
The InChIKey is NVJJOJGVKBWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C76H48/c1-2-14-49(15-3-1)59-22-10-23-60(46-59)74-48-73(58-40-34-55(35-41-58)66-29-13-21-52-18-6-9-26-63(52)66)69-43-42-67-71(56-36-30-53(31-37-56)64-27-11-19-50-16-4-7-24-61(50)64)47-72(68-44-45-70(74)76(69)75(67)68)57-38-32-54(33-39-57)65-28-12-20-51-17-5-8-25-62(51)65;1-2-13-49(14-3-1)50-27-29-57(30-28-50)71-47-72(58-37-31-54(32-38-58)64-24-10-18-51-15-4-7-21-61(51)64)68-45-46-70-74(60-41-35-56(36-42-60)66-26-12-20-53-17-6-9-23-63(53)66)48-73(69-44-43-67(71)75(68)76(69)70)59-39-33-55(34-40-59)65-25-11-19-52-16-5-8-22-62(52)65;1-2-15-49(16-3-1)65-26-10-11-27-66(65)74-48-73(58-41-35-55(36-42-58)64-30-14-22-52-19-6-9-25-61(52)64)69-44-43-67-71(56-37-31-53(32-38-56)62-28-12-20-50-17-4-7-23-59(50)62)47-72(68-45-46-70(74)76(69)75(67)68)57-39-33-54(34-40-57)63-29-13-21-51-18-5-8-24-60(51)63/h3*1-48H.
What are the key properties of 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?
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 has a molecular weight of 2883.66 g/mol, XLogP of 64.14, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159896209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).