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

C63H40N2 — CID 170441276

IUPAC5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2c(-c2ccccc2)c(-c2ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c2)c2ccccc23)cc1
InChIInChI=1S/C63H40N2/c1-4-20-43(21-5-1)60-59(53-30-16-17-31-55(53)63-61(60)62(44-22-6-2-7-23-44)64-65(63)50-26-8-3-9-27-50)49-36-37-54-56(40-49)58(48-35-33-42-19-11-13-25-46(42)39-48)52-29-15-14-28-51(52)57(54)47-34-32-41-18-10-12-24-45(41)38-47/h1-40H
InChIKeyZBWPHTXKKYANOX-UHFFFAOYSA-N
MW825.03 g/mol
LogP17.13
Rot. Bonds6

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

5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441276) has the molecular formula C63H40N2 and a molecular weight of 825.03 g/mol. Its IUPAC name is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441276
Molecular FormulaC63H40N2
Molecular Weight825.03 g/mol
Exact Mass824.32
IUPAC Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2c(-c2ccccc2)c(-c2ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c2)c2ccccc23)cc1
InChIInChI=1S/C63H40N2/c1-4-20-43(21-5-1)60-59(53-30-16-17-31-55(53)63-61(60)62(44-22-6-2-7-23-44)64-65(63)50-26-8-3-9-27-50)49-36-37-54-56(40-49)58(48-35-33-42-19-11-13-25-46(42)39-48)52-29-15-14-28-51(52)57(54)47-34-32-41-18-10-12-24-45(41)38-47/h1-40H
InChIKeyZBWPHTXKKYANOX-UHFFFAOYSA-N
XLogP17.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.03
LogP ≤ 517.13
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-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441274
8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441578
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
5-(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441271
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole (CID 170441276) is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2nn(-c3ccccc3)c3c2c(-c2ccccc2)c(-c2ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c2)c2ccccc23)cc1.
What is the InChIKey of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is ZBWPHTXKKYANOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2/c1-4-20-43(21-5-1)60-59(53-30-16-17-31-55(53)63-61(60)62(44-22-6-2-7-23-44)64-65(63)50-26-8-3-9-27-50)49-36-37-54-56(40-49)58(48-35-33-42-19-11-13-25-46(42)39-48)52-29-15-14-28-51(52)57(54)47-34-32-41-18-10-12-24-45(41)38-47/h1-40H.
What are the key properties of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole has a molecular weight of 825.03 g/mol, XLogP of 17.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).