1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene

C64H38 — CID 169303128

IUPAC1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc6ccccc56)cc(-c5ccc6ccc7cccc8ccc5c6c78)cc34)cc2)cc1
InChIInChI=1S/C64H38/c1-2-9-39(10-3-1)40-19-21-41(22-20-40)51-17-8-18-55-58(51)37-50(54-32-28-47-26-24-43-13-7-15-45-30-34-57(54)64(47)62(43)45)38-60(55)59-36-49(35-48-11-4-5-16-52(48)59)53-31-27-46-25-23-42-12-6-14-44-29-33-56(53)63(46)61(42)44/h1-38H
InChIKeyFFFKWZKZMWRYTK-UHFFFAOYSA-N
MW807.01 g/mol
LogP18.12
Rot. Bonds5

About 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene

1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene (PubChem CID 169303128) has the molecular formula C64H38 and a molecular weight of 807.01 g/mol. Its IUPAC name is 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene.

Molecular Properties

Compound Name1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
PubChem CID169303128
Molecular FormulaC64H38
Molecular Weight807.01 g/mol
Exact Mass806.30
IUPAC Name1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
SMILESc1ccc(-c2ccc(-c3cccc4c(-c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc6ccccc56)cc(-c5ccc6ccc7cccc8ccc5c6c78)cc34)cc2)cc1
InChIInChI=1S/C64H38/c1-2-9-39(10-3-1)40-19-21-41(22-20-40)51-17-8-18-55-58(51)37-50(54-32-28-47-26-24-43-13-7-15-45-30-34-57(54)64(47)62(43)45)38-60(55)59-36-49(35-48-11-4-5-16-52(48)59)53-31-27-46-25-23-42-12-6-14-44-29-33-56(53)63(46)61(42)44/h1-38H
InChIKeyFFFKWZKZMWRYTK-UHFFFAOYSA-N
XLogP18.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 518.12
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-[8-(2-phenylphenyl)-4-pyren-1-ylnaphthalen-2-yl]naphthalen-1-yl]pyrene
CID 169303179
1-[5-phenyl-2-(4-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303011
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-[3-(4-phenyl-2-pyren-1-ylnaphthalen-1-yl)naphthalen-1-yl]pyrene
CID 169303156
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-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
2-(4-phenylnaphthalen-1-yl)pyrene
CID 140737016
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene?
The IUPAC name of 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene (CID 169303128) is 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene.
What is the SMILES notation for 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene?
The canonical SMILES for 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene is c1ccc(-c2ccc(-c3cccc4c(-c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc6ccccc56)cc(-c5ccc6ccc7cccc8ccc5c6c78)cc34)cc2)cc1.
What is the InChIKey of 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene?
The InChIKey is FFFKWZKZMWRYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38/c1-2-9-39(10-3-1)40-19-21-41(22-20-40)51-17-8-18-55-58(51)37-50(54-32-28-47-26-24-43-13-7-15-45-30-34-57(54)64(47)62(43)45)38-60(55)59-36-49(35-48-11-4-5-16-52(48)59)53-31-27-46-25-23-42-12-6-14-44-29-33-56(53)63(46)61(42)44/h1-38H.
What are the key properties of 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene?
1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene has a molecular weight of 807.01 g/mol, XLogP of 18.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene is sourced from PubChem (CID 169303128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).