4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile

C37H23N — CID 155456746

IUPAC4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C37H23N/c38-24-25-14-16-26(17-15-25)28-18-19-30-23-31(21-20-29(30)22-28)37-34-12-6-4-10-32(34)36(27-8-2-1-3-9-27)33-11-5-7-13-35(33)37/h1-23H
InChIKeyUPJVONVJXIEBFZ-UHFFFAOYSA-N
MW481.60 g/mol
LogP10.02
Rot. Bonds3

About 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile

4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile (PubChem CID 155456746) has the molecular formula C37H23N and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
PubChem CID155456746
Molecular FormulaC37H23N
Molecular Weight481.60 g/mol
Exact Mass481.18
IUPAC Name4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C37H23N/c38-24-25-14-16-26(17-15-25)28-18-19-30-23-31(21-20-29(30)22-28)37-34-12-6-4-10-32(34)36(27-8-2-1-3-9-27)33-11-5-7-13-35(33)37/h1-23H
InChIKeyUPJVONVJXIEBFZ-UHFFFAOYSA-N
XLogP10.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 510.02
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

4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
CID 89026906
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
4-(4-cyano-N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anilino)benzonitrile
CID 90336292
4-(6-fluoranthen-3-ylnaphthalen-2-yl)benzonitrile;3-[3-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]fluoranthene;4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 160995339
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916

Frequently Asked Questions

What is the IUPAC name of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile (CID 155456746) is 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?
The InChIKey is UPJVONVJXIEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N/c38-24-25-14-16-26(17-15-25)28-18-19-30-23-31(21-20-29(30)22-28)37-34-12-6-4-10-32(34)36(27-8-2-1-3-9-27)33-11-5-7-13-35(33)37/h1-23H.
What are the key properties of 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile?
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile has a molecular weight of 481.60 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 155456746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).