1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene

C54H34 — CID 123142819

IUPAC1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
SMILESc1ccc(-c2cccc3c(-c4ccc5ccc6c(-c7ccc(-c8ccc9ccccc9c8)cc7)ccc7ccc4c5c76)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H34/c1-3-11-37(12-4-1)45-16-9-17-49-48(33-32-46(54(45)49)38-13-5-2-6-14-38)47-29-25-41-26-30-50-44(28-24-40-27-31-51(47)53(41)52(40)50)39-21-18-36(19-22-39)43-23-20-35-10-7-8-15-42(35)34-43/h1-34H
InChIKeyRMRBHIOKKIWDFU-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.23
Rot. Bonds5

About 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene

1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene (PubChem CID 123142819) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene.

Molecular Properties

Compound Name1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
PubChem CID123142819
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
SMILESc1ccc(-c2cccc3c(-c4ccc5ccc6c(-c7ccc(-c8ccc9ccccc9c8)cc7)ccc7ccc4c5c76)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H34/c1-3-11-37(12-4-1)45-16-9-17-49-48(33-32-46(54(45)49)38-13-5-2-6-14-38)47-29-25-41-26-30-50-44(28-24-40-27-31-51(47)53(41)52(40)50)39-21-18-36(19-22-39)43-23-20-35-10-7-8-15-42(35)34-43/h1-34H
InChIKeyRMRBHIOKKIWDFU-UHFFFAOYSA-N
XLogP15.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.23
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-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
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
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
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
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
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
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
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene?
The IUPAC name of 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene (CID 123142819) is 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene.
What is the SMILES notation for 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene?
The canonical SMILES for 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene is c1ccc(-c2cccc3c(-c4ccc5ccc6c(-c7ccc(-c8ccc9ccccc9c8)cc7)ccc7ccc4c5c76)ccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene?
The InChIKey is RMRBHIOKKIWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-3-11-37(12-4-1)45-16-9-17-49-48(33-32-46(54(45)49)38-13-5-2-6-14-38)47-29-25-41-26-30-50-44(28-24-40-27-31-51(47)53(41)52(40)50)39-21-18-36(19-22-39)43-23-20-35-10-7-8-15-42(35)34-43/h1-34H.
What are the key properties of 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene?
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene has a molecular weight of 682.87 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene is sourced from PubChem (CID 123142819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).