1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene

C80H50 — CID 59391173

IUPAC1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
SMILESc1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(-c7ccc(-c8cccc9ccccc89)cc7)cc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccc4c5c76)cc3)cccc2c1
InChIInChI=1S/C80H50/c1-5-21-63-51(13-1)17-9-25-67(63)55-29-37-59(38-30-55)75-49-76(60-39-31-56(32-40-60)68-26-10-18-52-14-2-6-22-64(52)68)72-47-48-74-78(62-43-35-58(36-44-62)70-28-12-20-54-16-4-8-24-66(54)70)50-77(73-46-45-71(75)79(72)80(73)74)61-41-33-57(34-42-61)69-27-11-19-53-15-3-7-23-65(53)69/h1-50H
InChIKeyUCKGJZMFUKXLBV-UHFFFAOYSA-N
MW1011.28 g/mol
LogP22.53
Rot. Bonds8

About 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene

1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene (PubChem CID 59391173) has the molecular formula C80H50 and a molecular weight of 1011.28 g/mol. Its IUPAC name is 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene.

Molecular Properties

Compound Name1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
PubChem CID59391173
Molecular FormulaC80H50
Molecular Weight1011.28 g/mol
Exact Mass1010.39
IUPAC Name1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
SMILESc1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(-c7ccc(-c8cccc9ccccc89)cc7)cc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccc4c5c76)cc3)cccc2c1
InChIInChI=1S/C80H50/c1-5-21-63-51(13-1)17-9-25-67(63)55-29-37-59(38-30-55)75-49-76(60-39-31-56(32-40-60)68-26-10-18-52-14-2-6-22-64(52)68)72-47-48-74-78(62-43-35-58(36-44-62)70-28-12-20-54-16-4-8-24-66(54)70)50-77(73-46-45-71(75)79(72)80(73)74)61-41-33-57(34-42-61)69-27-11-19-53-15-3-7-23-65(53)69/h1-50H
InChIKeyUCKGJZMFUKXLBV-UHFFFAOYSA-N
XLogP22.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.28
LogP ≤ 522.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
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
4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
CID 59638751
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790
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-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
3-[7-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[e]pyrene
CID 58454007

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene?
The IUPAC name of 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene (CID 59391173) is 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene.
What is the SMILES notation for 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene?
The canonical SMILES for 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene is c1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(-c7ccc(-c8cccc9ccccc89)cc7)cc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccc4c5c76)cc3)cccc2c1.
What is the InChIKey of 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene?
The InChIKey is UCKGJZMFUKXLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50/c1-5-21-63-51(13-1)17-9-25-67(63)55-29-37-59(38-30-55)75-49-76(60-39-31-56(32-40-60)68-26-10-18-52-14-2-6-22-64(52)68)72-47-48-74-78(62-43-35-58(36-44-62)70-28-12-20-54-16-4-8-24-66(54)70)50-77(73-46-45-71(75)79(72)80(73)74)61-41-33-57(34-42-61)69-27-11-19-53-15-3-7-23-65(53)69/h1-50H.
What are the key properties of 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene?
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene has a molecular weight of 1011.28 g/mol, XLogP of 22.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene is sourced from PubChem (CID 59391173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).