2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine

C45H31N — CID 88589712

IUPAC2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine
SMILESC=Cc1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc(-c5ccccc5)n4)ccc23)c1C=C
InChIInChI=1S/C45H31N/c1-3-30-18-12-23-36(34(30)4-2)44-38-21-10-11-22-39(38)45(37-24-13-19-31-15-8-9-20-35(31)37)41-29-33(27-28-40(41)44)43-26-14-25-42(46-43)32-16-6-5-7-17-32/h3-29H,1-2H2
InChIKeyIZHXXLNXDAXOLN-UHFFFAOYSA-N
MW585.75 g/mol
LogP12.50
Rot. Bonds6

About 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine

2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine (PubChem CID 88589712) has the molecular formula C45H31N and a molecular weight of 585.75 g/mol. Its IUPAC name is 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine.

Molecular Properties

Compound Name2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine
PubChem CID88589712
Molecular FormulaC45H31N
Molecular Weight585.75 g/mol
Exact Mass585.25
IUPAC Name2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine
SMILESC=Cc1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc(-c5ccccc5)n4)ccc23)c1C=C
InChIInChI=1S/C45H31N/c1-3-30-18-12-23-36(34(30)4-2)44-38-21-10-11-22-39(38)45(37-24-13-19-31-15-8-9-20-35(31)37)41-29-33(27-28-40(41)44)43-26-14-25-42(46-43)32-16-6-5-7-17-32/h3-29H,1-2H2
InChIKeyIZHXXLNXDAXOLN-UHFFFAOYSA-N
XLogP12.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.75
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[2,3-bis(ethenyl)phenyl]-10-naphthalen-1-ylanthracene
CID 90899985
2-(6-methyl-9,10-dinaphthalen-1-ylanthracen-2-yl)-6-phenylpyridine
CID 59722146
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806
2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
CID 91376653
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
1-[2,3,5,6-tetrakis(ethenyl)phenyl]naphthalene
CID 123541767
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145

Frequently Asked Questions

What is the IUPAC name of 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine?
The IUPAC name of 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine (CID 88589712) is 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine.
What is the SMILES notation for 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine?
The canonical SMILES for 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine is C=Cc1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc(-c5ccccc5)n4)ccc23)c1C=C.
What is the InChIKey of 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine?
The InChIKey is IZHXXLNXDAXOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N/c1-3-30-18-12-23-36(34(30)4-2)44-38-21-10-11-22-39(38)45(37-24-13-19-31-15-8-9-20-35(31)37)41-29-33(27-28-40(41)44)43-26-14-25-42(46-43)32-16-6-5-7-17-32/h3-29H,1-2H2.
What are the key properties of 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine?
2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine has a molecular weight of 585.75 g/mol, XLogP of 12.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine is sourced from PubChem (CID 88589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).