8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole

C56H37N5 — CID 170441597

IUPAC8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5cc(-c6ccccc6)c6c(-c7ccccc7)nn(-c7ccccc7)c6c5c4)n3)c2)cc1
InChIInChI=1S/C56H37N5/c1-6-18-38(19-7-1)42-26-16-28-45(34-42)54-57-55(46-29-17-27-43(35-46)39-20-8-2-9-21-39)59-56(58-54)47-33-32-44-36-49(40-22-10-3-11-23-40)51-52(41-24-12-4-13-25-41)60-61(53(51)50(44)37-47)48-30-14-5-15-31-48/h1-37H
InChIKeySETMFLALWFGMBR-UHFFFAOYSA-N
MW779.95 g/mol
LogP14.03
Rot. Bonds8

About 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole

8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441597) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441597
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC Name8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5cc(-c6ccccc6)c6c(-c7ccccc7)nn(-c7ccccc7)c6c5c4)n3)c2)cc1
InChIInChI=1S/C56H37N5/c1-6-18-38(19-7-1)42-26-16-28-45(34-42)54-57-55(46-29-17-27-43(35-46)39-20-8-2-9-21-39)59-56(58-54)47-33-32-44-36-49(40-22-10-3-11-23-40)51-52(41-24-12-4-13-25-41)60-61(53(51)50(44)37-47)48-30-14-5-15-31-48/h1-37H
InChIKeySETMFLALWFGMBR-UHFFFAOYSA-N
XLogP14.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole
CID 170441642
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441578
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
8-[3,5-di(carbazol-9-yl)phenyl]-1,3,4-triphenylbenzo[g]indazole
CID 170441582
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441244

Frequently Asked Questions

What is the IUPAC name of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole (CID 170441597) is 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5cc(-c6ccccc6)c6c(-c7ccccc7)nn(-c7ccccc7)c6c5c4)n3)c2)cc1.
What is the InChIKey of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is SETMFLALWFGMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-6-18-38(19-7-1)42-26-16-28-45(34-42)54-57-55(46-29-17-27-43(35-46)39-20-8-2-9-21-39)59-56(58-54)47-33-32-44-36-49(40-22-10-3-11-23-40)51-52(41-24-12-4-13-25-41)60-61(53(51)50(44)37-47)48-30-14-5-15-31-48/h1-37H.
What are the key properties of 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole?
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole has a molecular weight of 779.95 g/mol, XLogP of 14.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).