1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene

C60H36 — CID 169303234

IUPAC1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3-c3cccc4ccccc34)ccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C60H36/c1-2-9-38(10-3-1)55-36-46(28-32-52(55)50-30-24-44-22-20-40-14-7-16-42-26-34-54(50)60(44)58(40)42)56-35-45(27-31-51(56)49-18-8-12-37-11-4-5-17-47(37)49)48-29-23-43-21-19-39-13-6-15-41-25-33-53(48)59(43)57(39)41/h1-36H
InChIKeyLNNBRFYZSFTTSA-UHFFFAOYSA-N
MW756.95 g/mol
LogP16.97
Rot. Bonds5

About 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene

1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene (PubChem CID 169303234) has the molecular formula C60H36 and a molecular weight of 756.95 g/mol. Its IUPAC name is 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene.

Molecular Properties

Compound Name1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
PubChem CID169303234
Molecular FormulaC60H36
Molecular Weight756.95 g/mol
Exact Mass756.28
IUPAC Name1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3-c3cccc4ccccc34)ccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C60H36/c1-2-9-38(10-3-1)55-36-46(28-32-52(55)50-30-24-44-22-20-40-14-7-16-42-26-34-54(50)60(44)58(40)42)56-35-45(27-31-51(56)49-18-8-12-37-11-4-5-17-47(37)49)48-29-23-43-21-19-39-13-6-15-41-25-33-53(48)59(43)57(39)41/h1-36H
InChIKeyLNNBRFYZSFTTSA-UHFFFAOYSA-N
XLogP16.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 516.97
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-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303240
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
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-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
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-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
CID 169303128
1-[3-[8-(2-phenylphenyl)-4-pyren-1-ylnaphthalen-2-yl]naphthalen-1-yl]pyrene
CID 169303179

Frequently Asked Questions

What is the IUPAC name of 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene?
The IUPAC name of 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene (CID 169303234) is 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene.
What is the SMILES notation for 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene?
The canonical SMILES for 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene is c1ccc(-c2cc(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3-c3cccc4ccccc34)ccc2-c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene?
The InChIKey is LNNBRFYZSFTTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36/c1-2-9-38(10-3-1)55-36-46(28-32-52(55)50-30-24-44-22-20-40-14-7-16-42-26-34-54(50)60(44)58(40)42)56-35-45(27-31-51(56)49-18-8-12-37-11-4-5-17-47(37)49)48-29-23-43-21-19-39-13-6-15-41-25-33-53(48)59(43)57(39)41/h1-36H.
What are the key properties of 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene?
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene has a molecular weight of 756.95 g/mol, XLogP of 16.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene is sourced from PubChem (CID 169303234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).