8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole

C53H34N2 — CID 170441576

IUPAC8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C53H34N2/c1-4-17-36(18-5-1)47-33-39-29-31-41(34-48(39)53-51(47)52(37-19-6-2-7-20-37)54-55(53)42-22-8-3-9-23-42)50-45-26-14-12-24-43(45)49(44-25-13-15-27-46(44)50)40-30-28-35-16-10-11-21-38(35)32-40/h1-34H
InChIKeyCCWWTJWBRSEAMB-UHFFFAOYSA-N
MW698.87 g/mol
LogP14.31
Rot. Bonds5

About 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole

8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441576) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441576
Molecular FormulaC53H34N2
Molecular Weight698.87 g/mol
Exact Mass698.27
IUPAC Name8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C53H34N2/c1-4-17-36(18-5-1)47-33-39-29-31-41(34-48(39)53-51(47)52(37-19-6-2-7-20-37)54-55(53)42-22-8-3-9-23-42)50-45-26-14-12-24-43(45)49(44-25-13-15-27-46(44)50)40-30-28-35-16-10-11-21-38(35)32-40/h1-34H
InChIKeyCCWWTJWBRSEAMB-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-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441578
6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441444
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441276
5-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441274
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441597
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
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline
CID 170441418

Frequently Asked Questions

What is the IUPAC name of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole (CID 170441576) is 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2cc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is CCWWTJWBRSEAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-4-17-36(18-5-1)47-33-39-29-31-41(34-48(39)53-51(47)52(37-19-6-2-7-20-37)54-55(53)42-22-8-3-9-23-42)50-45-26-14-12-24-43(45)49(44-25-13-15-27-46(44)50)40-30-28-35-16-10-11-21-38(35)32-40/h1-34H.
What are the key properties of 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole?
8-(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 8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).