1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene

C58H34 — CID 169303156

IUPAC1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene
SMILESc1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C58H34/c1-2-10-35(11-3-1)51-34-53(47-29-25-41-23-21-37-14-9-16-39-27-31-50(47)58(41)55(37)39)56(48-19-7-6-18-45(48)51)43-32-42-12-4-5-17-44(42)52(33-43)46-28-24-40-22-20-36-13-8-15-38-26-30-49(46)57(40)54(36)38/h1-34H
InChIKeyWZULEZLNXPMKFO-UHFFFAOYSA-N
MW730.91 g/mol
LogP16.46
Rot. Bonds4

About 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene

1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene (PubChem CID 169303156) has the molecular formula C58H34 and a molecular weight of 730.91 g/mol. Its IUPAC name is 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene.

Molecular Properties

Compound Name1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene
PubChem CID169303156
Molecular FormulaC58H34
Molecular Weight730.91 g/mol
Exact Mass730.27
IUPAC Name1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene
SMILESc1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C58H34/c1-2-10-35(11-3-1)51-34-53(47-29-25-41-23-21-37-14-9-16-39-27-31-50(47)58(41)55(37)39)56(48-19-7-6-18-45(48)51)43-32-42-12-4-5-17-44(42)52(33-43)46-28-24-40-22-20-36-13-8-15-38-26-30-49(46)57(40)54(36)38/h1-34H
InChIKeyWZULEZLNXPMKFO-UHFFFAOYSA-N
XLogP16.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 516.46
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-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303011
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
1,6-di(phenanthren-9-yl)-3-(4-phenylphenyl)pyrene
CID 123971981
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-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
1,6-bis(2,5-diphenylphenyl)-3-(4-phenylphenyl)pyrene
CID 140589968
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
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-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene?
The IUPAC name of 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene (CID 169303156) is 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene.
What is the SMILES notation for 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene?
The canonical SMILES for 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene is c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)c(-c3cc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene?
The InChIKey is WZULEZLNXPMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34/c1-2-10-35(11-3-1)51-34-53(47-29-25-41-23-21-37-14-9-16-39-27-31-50(47)58(41)55(37)39)56(48-19-7-6-18-45(48)51)43-32-42-12-4-5-17-44(42)52(33-43)46-28-24-40-22-20-36-13-8-15-38-26-30-49(46)57(40)54(36)38/h1-34H.
What are the key properties of 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene?
1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene has a molecular weight of 730.91 g/mol, XLogP of 16.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene is sourced from PubChem (CID 169303156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).