7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)

C27H17Y2- — CID 58390191

IUPAC7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)
SMILESCc1cc2ccc3ccc(-c4ccc5c[c-]ccc5c4)c4ccc(c1)c2c34.[Y].[Y]
InChIInChI=1S/C27H17.2Y/c1-17-14-22-9-7-19-10-12-24(25-13-11-23(15-17)26(22)27(19)25)21-8-6-18-4-2-3-5-20(18)16-21;;/h3-16H,1H3;;/q-1;;
InChIKeyIVTCUEQEIKWACT-UHFFFAOYSA-N
MW519.25 g/mol
LogP7.51
Rot. Bonds1

About 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)

7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium) (PubChem CID 58390191) has the molecular formula C27H17Y2- and a molecular weight of 519.25 g/mol. Its IUPAC name is 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium).

Molecular Properties

Compound Name7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)
PubChem CID58390191
Molecular FormulaC27H17Y2-
Molecular Weight519.25 g/mol
Exact Mass518.95
IUPAC Name7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)
SMILESCc1cc2ccc3ccc(-c4ccc5c[c-]ccc5c4)c4ccc(c1)c2c34.[Y].[Y]
InChIInChI=1S/C27H17.2Y/c1-17-14-22-9-7-19-10-12-24(25-13-11-23(15-17)26(22)27(19)25)21-8-6-18-4-2-3-5-20(18)16-21;;/h3-16H,1H3;;/q-1;;
InChIKeyIVTCUEQEIKWACT-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.25
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
CID 91155116
7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene
CID 158674016
7-tert-butyl-1-(6-phenanthren-1-ylnaphthalen-2-yl)pyrene
CID 59629654
tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
CID 159712751
1-(3-pyren-2-ylphenyl)pyrene
CID 156656908
1-(6-bromonaphthalen-2-yl)pyrene
CID 58894948
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
1,6-bis(2,5-dimethyl-4-naphthalen-2-ylphenyl)pyrene
CID 132596245
2,7-bis(7-tert-butylpyren-1-yl)-9-methylcarbazole
CID 59736353
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)?
The IUPAC name of 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium) (CID 58390191) is 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium).
What is the SMILES notation for 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)?
The canonical SMILES for 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium) is Cc1cc2ccc3ccc(-c4ccc5c[c-]ccc5c4)c4ccc(c1)c2c34.[Y].[Y].
What is the InChIKey of 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)?
The InChIKey is IVTCUEQEIKWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17.2Y/c1-17-14-22-9-7-19-10-12-24(25-13-11-23(15-17)26(22)27(19)25)21-8-6-18-4-2-3-5-20(18)16-21;;/h3-16H,1H3;;/q-1;;.
What are the key properties of 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium)?
7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium) has a molecular weight of 519.25 g/mol, XLogP of 7.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(6H-naphthalen-6-id-2-yl)pyrene;bis(yttrium) is sourced from PubChem (CID 58390191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).