3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene

C50H32 — CID 123449510

IUPAC3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)cc1
InChIInChI=1S/C50H32/c1-3-14-34(15-4-1)39-19-9-11-21-41(39)43-27-25-36-26-28-46-48(42-22-12-10-20-40(42)35-16-5-2-6-17-35)32-47(45-30-29-44(43)49(36)50(45)46)38-24-23-33-13-7-8-18-37(33)31-38/h1-32H
InChIKeyBHMDUHLJQYKXPQ-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.07
Rot. Bonds5

About 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene

3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene (PubChem CID 123449510) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene.

Molecular Properties

Compound Name3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
PubChem CID123449510
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
SMILESc1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)cc1
InChIInChI=1S/C50H32/c1-3-14-34(15-4-1)39-19-9-11-21-41(39)43-27-25-36-26-28-46-48(42-22-12-10-20-40(42)35-16-5-2-6-17-35)32-47(45-30-29-44(43)49(36)50(45)46)38-24-23-33-13-7-8-18-37(33)31-38/h1-32H
InChIKeyBHMDUHLJQYKXPQ-UHFFFAOYSA-N
XLogP14.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.07
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

1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
CID 59793090
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
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-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 159827500
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;3-(3-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene;3-(4-naphthalen-2-ylphenyl)-1,6-bis(2-phenylphenyl)pyrene
CID 161048400
4-naphthalen-2-yl-1,6-diphenylpyrene
CID 167335387
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;1,6-dinaphthalen-1-yl-3-(3-phenylphenyl)pyrene;1,6-diphenyl-3-(4-phenylphenyl)pyrene
CID 159825914
1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene
CID 160969963
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
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
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
1,6-bis(2,5-diphenylphenyl)-3-(4-phenylphenyl)pyrene
CID 140589968

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene?
The IUPAC name of 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene (CID 123449510) is 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene.
What is the SMILES notation for 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene?
The canonical SMILES for 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene is c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccccc5-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c54)cc1.
What is the InChIKey of 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene?
The InChIKey is BHMDUHLJQYKXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-14-34(15-4-1)39-19-9-11-21-41(39)43-27-25-36-26-28-46-48(42-22-12-10-20-40(42)35-16-5-2-6-17-35)32-47(45-30-29-44(43)49(36)50(45)46)38-24-23-33-13-7-8-18-37(33)31-38/h1-32H.
What are the key properties of 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene?
3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene has a molecular weight of 632.81 g/mol, XLogP of 14.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene is sourced from PubChem (CID 123449510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).