5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole

C53H34N2 — CID 170441274

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2c(-c2ccccc2)c(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-4-19-36(20-5-1)48-50(45-30-16-17-31-46(45)53-51(48)52(37-21-6-2-7-22-37)54-55(53)40-24-8-3-9-25-40)49-43-28-14-12-26-41(43)47(42-27-13-15-29-44(42)49)39-33-32-35-18-10-11-23-38(35)34-39/h1-34H
InChIKeyNVCTXWXOQKVNDW-UHFFFAOYSA-N
MW698.87 g/mol
LogP14.31
Rot. Bonds5

About 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole

5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441274) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441274
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2c(-c2ccccc2)c(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc23)cc1
InChIInChI=1S/C53H34N2/c1-4-19-36(20-5-1)48-50(45-30-16-17-31-46(45)53-51(48)52(37-21-6-2-7-22-37)54-55(53)40-24-8-3-9-25-40)49-43-28-14-12-26-41(43)47(42-27-13-15-29-44(42)49)39-33-32-35-18-10-11-23-38(35)34-39/h1-34H
InChIKeyNVCTXWXOQKVNDW-UHFFFAOYSA-N
XLogP14.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 514.31
H-Bond Donors ≤ 50
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-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441276
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441444
8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441578
5-(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441271
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
2-[3-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 170441382
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole (CID 170441274) is 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2nn(-c3ccccc3)c3c2c(-c2ccccc2)c(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc23)cc1.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is NVCTXWXOQKVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-4-19-36(20-5-1)48-50(45-30-16-17-31-46(45)53-51(48)52(37-21-6-2-7-22-37)54-55(53)40-24-8-3-9-25-40)49-43-28-14-12-26-41(43)47(42-27-13-15-29-44(42)49)39-33-32-35-18-10-11-23-38(35)34-39/h1-34H.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole has a molecular weight of 698.87 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).