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

C63H40N2 — CID 170441578

IUPAC8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C63H40N2/c1-4-18-43(19-5-1)56-40-49-31-30-47(38-57(49)63-61(56)62(44-20-6-2-7-21-44)64-65(63)52-24-8-3-9-25-52)48-34-35-55-58(39-48)60(51-33-29-42-17-11-13-23-46(42)37-51)54-27-15-14-26-53(54)59(55)50-32-28-41-16-10-12-22-45(41)36-50/h1-40H
InChIKeyKOOMHNUEXWLFMV-UHFFFAOYSA-N
MW825.03 g/mol
LogP17.13
Rot. Bonds6

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

8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441578) has the molecular formula C63H40N2 and a molecular weight of 825.03 g/mol. Its IUPAC name is 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441578
Molecular FormulaC63H40N2
Molecular Weight825.03 g/mol
Exact Mass824.32
IUPAC Name8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C63H40N2/c1-4-18-43(19-5-1)56-40-49-31-30-47(38-57(49)63-61(56)62(44-20-6-2-7-21-44)64-65(63)52-24-8-3-9-25-52)48-34-35-55-58(39-48)60(51-33-29-42-17-11-13-23-46(42)37-51)54-27-15-14-26-53(54)59(55)50-32-28-41-16-10-12-22-45(41)36-50/h1-40H
InChIKeyKOOMHNUEXWLFMV-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

8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441276
6-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441444
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
8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole
CID 170441582
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441523
2-[3-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 170441382
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

Frequently Asked Questions

What is the IUPAC name of 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole (CID 170441578) is 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2cc3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3c3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is KOOMHNUEXWLFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2/c1-4-18-43(19-5-1)56-40-49-31-30-47(38-57(49)63-61(56)62(44-20-6-2-7-21-44)64-65(63)52-24-8-3-9-25-52)48-34-35-55-58(39-48)60(51-33-29-42-17-11-13-23-46(42)37-51)54-27-15-14-26-53(54)59(55)50-32-28-41-16-10-12-22-45(41)36-50/h1-40H.
What are the key properties of 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole?
8-(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 8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).