6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole

C53H34N2 — CID 170441444

IUPAC6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cccc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C53H34N2/c1-4-18-36(19-5-1)47-34-48-45(29-16-30-46(48)53-51(47)52(37-20-6-2-7-21-37)54-55(53)40-23-8-3-9-24-40)50-43-27-14-12-25-41(43)49(42-26-13-15-28-44(42)50)39-32-31-35-17-10-11-22-38(35)33-39/h1-34H
InChIKeyYVBFHWTVNBXVQC-UHFFFAOYSA-N
MW698.87 g/mol
LogP14.31
Rot. Bonds5

About 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole

6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441444) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441444
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cccc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C53H34N2/c1-4-18-36(19-5-1)47-34-48-45(29-16-30-46(48)53-51(47)52(37-20-6-2-7-21-37)54-55(53)40-23-8-3-9-24-40)50-43-27-14-12-25-41(43)49(42-26-13-15-28-44(42)50)39-32-31-35-17-10-11-22-38(35)33-39/h1-34H
InChIKeyYVBFHWTVNBXVQC-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

8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441578
5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441274
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441276
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
2-[3-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 170441382
7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441523
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
2-phenyl-9-[3-(1,3,4-triphenylbenzo[g]indazol-9-yl)phenyl]-1,10-phenanthroline
CID 170441624
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582

Frequently Asked Questions

What is the IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole (CID 170441444) is 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2cc3c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cccc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is YVBFHWTVNBXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-4-18-36(19-5-1)47-34-48-45(29-16-30-46(48)53-51(47)52(37-20-6-2-7-21-37)54-55(53)40-23-8-3-9-24-40)50-43-27-14-12-25-41(43)49(42-26-13-15-28-44(42)50)39-32-31-35-17-10-11-22-38(35)33-39/h1-34H.
What are the key properties of 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
6-(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 6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).