6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)

C58H46N2V2 — CID 144687190

IUPAC6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)
SMILESC.CC1(C2=CNCC=C2)C=CC(c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)=NC1.[V].[V]
InChIInChI=1S/C57H42N2.CH4.2V/c1-57(49-13-8-32-58-36-49)31-30-54(59-37-57)48-28-29-52-53(35-48)56(43-24-18-41(19-25-43)47-27-21-39-10-3-5-12-45(39)34-47)51-15-7-6-14-50(51)55(52)42-22-16-40(17-23-42)46-26-20-38-9-2-4-11-44(38)33-46;;;/h2-31,33-36,58H,32,37H2,1H3;1H4;;
InChIKeyMFFLNRSQBHYLAS-UHFFFAOYSA-N
MW872.91 g/mol
LogP15.01
Rot. Bonds6

About 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)

6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium) (PubChem CID 144687190) has the molecular formula C58H46N2V2 and a molecular weight of 872.91 g/mol. Its IUPAC name is 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium).

Molecular Properties

Compound Name6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)
PubChem CID144687190
Molecular FormulaC58H46N2V2
Molecular Weight872.91 g/mol
Exact Mass872.25
IUPAC Name6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)
SMILESC.CC1(C2=CNCC=C2)C=CC(c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)=NC1.[V].[V]
InChIInChI=1S/C57H42N2.CH4.2V/c1-57(49-13-8-32-58-36-49)31-30-54(59-37-57)48-28-29-52-53(35-48)56(43-24-18-41(19-25-43)47-27-21-39-10-3-5-12-45(39)34-47)51-15-7-6-14-50(51)55(52)42-22-16-40(17-23-42)46-26-20-38-9-2-4-11-44(38)33-46;;;/h2-31,33-36,58H,32,37H2,1H3;1H4;;
InChIKeyMFFLNRSQBHYLAS-UHFFFAOYSA-N
XLogP15.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.91
LogP ≤ 515.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-1,2-dihydropyridine
CID 144687175
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673

Frequently Asked Questions

What is the IUPAC name of 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)?
The IUPAC name of 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium) (CID 144687190) is 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium).
What is the SMILES notation for 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)?
The canonical SMILES for 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium) is C.CC1(C2=CNCC=C2)C=CC(c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)=NC1.[V].[V].
What is the InChIKey of 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)?
The InChIKey is MFFLNRSQBHYLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2.CH4.2V/c1-57(49-13-8-32-58-36-49)31-30-54(59-37-57)48-28-29-52-53(35-48)56(43-24-18-41(19-25-43)47-27-21-39-10-3-5-12-45(39)34-47)51-15-7-6-14-50(51)55(52)42-22-16-40(17-23-42)46-26-20-38-9-2-4-11-44(38)33-46;;;/h2-31,33-36,58H,32,37H2,1H3;1H4;;.
What are the key properties of 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium)?
6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium) has a molecular weight of 872.91 g/mol, XLogP of 15.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3-(1,2-dihydropyridin-5-yl)-3-methyl-2H-pyridine;methane;bis(vanadium) is sourced from PubChem (CID 144687190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).