3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile

C37H23N — CID 89026906

IUPAC3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c1
InChIInChI=1S/C37H23N/c38-24-25-9-7-12-27(21-25)29-13-8-14-30(23-29)36-32-15-3-5-17-34(32)37(35-18-6-4-16-33(35)36)31-20-19-26-10-1-2-11-28(26)22-31/h1-23H
InChIKeyYFUXNBSHASYEOQ-UHFFFAOYSA-N
MW481.60 g/mol
LogP10.02
Rot. Bonds3

About 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile

3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile (PubChem CID 89026906) has the molecular formula C37H23N and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
PubChem CID89026906
Molecular FormulaC37H23N
Molecular Weight481.60 g/mol
Exact Mass481.18
IUPAC Name3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c1
InChIInChI=1S/C37H23N/c38-24-25-9-7-12-27(21-25)29-13-8-14-30(23-29)36-32-15-3-5-17-34(32)37(35-18-6-4-16-33(35)36)31-20-19-26-10-1-2-11-28(26)22-31/h1-23H
InChIKeyYFUXNBSHASYEOQ-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

9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 155456746
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825

Frequently Asked Questions

What is the IUPAC name of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile?
The IUPAC name of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile (CID 89026906) is 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)c1.
What is the InChIKey of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile?
The InChIKey is YFUXNBSHASYEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N/c38-24-25-9-7-12-27(21-25)29-13-8-14-30(23-29)36-32-15-3-5-17-34(32)37(35-18-6-4-16-33(35)36)31-20-19-26-10-1-2-11-28(26)22-31/h1-23H.
What are the key properties of 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile?
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]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 3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 89026906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).