3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole

C59H47N5 — CID 166134634

IUPAC3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole
SMILESCC(C)(C)c1c2c(c(-c3nnnc(-c4ccccc4)c3-c3ccccc3-c3ccccc3-c3ccccc3)c(-c3ccccc3)c1C(C)(C)C)-c1c3c(ccc1=N2)=c1ccccc1=N3
InChIInChI=1S/C59H47N5/c1-58(2,3)52-47(37-24-12-8-13-25-37)50(51-49-46(61-57(51)53(52)59(4,5)6)35-34-44-42-31-20-21-33-45(42)60-55(44)49)56-48(54(62-64-63-56)38-26-14-9-15-27-38)43-32-19-18-30-41(43)40-29-17-16-28-39(40)36-22-10-7-11-23-36/h7-35H,1-6H3
InChIKeyHGOPIQTYGFYEHX-UHFFFAOYSA-N
MW826.06 g/mol
LogP13.95
Rot. Bonds6

About 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole

3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole (PubChem CID 166134634) has the molecular formula C59H47N5 and a molecular weight of 826.06 g/mol. Its IUPAC name is 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole
PubChem CID166134634
Molecular FormulaC59H47N5
Molecular Weight826.06 g/mol
Exact Mass825.38
IUPAC Name3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole
SMILESCC(C)(C)c1c2c(c(-c3nnnc(-c4ccccc4)c3-c3ccccc3-c3ccccc3-c3ccccc3)c(-c3ccccc3)c1C(C)(C)C)-c1c3c(ccc1=N2)=c1ccccc1=N3
InChIInChI=1S/C59H47N5/c1-58(2,3)52-47(37-24-12-8-13-25-37)50(51-49-46(61-57(51)53(52)59(4,5)6)35-34-44-42-31-20-21-33-45(42)60-55(44)49)56-48(54(62-64-63-56)38-26-14-9-15-27-38)43-32-19-18-30-41(43)40-29-17-16-28-39(40)36-22-10-7-11-23-36/h7-35H,1-6H3
InChIKeyHGOPIQTYGFYEHX-UHFFFAOYSA-N
XLogP13.95
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-ditert-butyl-1-(5,6-diphenyltriazin-4-yl)-4-phenylindolo[3,2-c]carbazole
CID 166133624
1-[5-phenyl-6-(2-phenylphenyl)triazin-4-yl]indolo[3,2-c]carbazole
CID 171060205
1-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 166133451
1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
CID 175875644
1-[5-(9H-fluoren-1-yl)-6-phenyltriazin-4-yl]-2-phenylindolo[3,2-c]carbazole
CID 166134637
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
1-[2-(2-phenylphenyl)phenyl]-2-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 166133828
3,4-ditert-butyl-1-[1-(2,3-dibutylphenyl)-3,6-diphenyl-2,5-bis(2-phenylphenyl)-4H-triazin-4-yl]-2-phenylindolo[3,2-c]carbazole
CID 172861608
2-(2-phenyl-9H-carbazol-1-yl)-1-[2-(2-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 166133949
2-phenyl-1-(3-phenyl-1H-indol-2-yl)indolo[3,2-c]carbazole
CID 166133853
1-[5,6-diphenyl-1-[3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazol-1-yl]-2H-triazin-4-yl]-3-phenyl-2-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 175869381
2-phenyl-1-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]indolo[3,2-c]carbazole
CID 166134906

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole?
The IUPAC name of 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole (CID 166134634) is 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole is CC(C)(C)c1c2c(c(-c3nnnc(-c4ccccc4)c3-c3ccccc3-c3ccccc3-c3ccccc3)c(-c3ccccc3)c1C(C)(C)C)-c1c3c(ccc1=N2)=c1ccccc1=N3.
What is the InChIKey of 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole?
The InChIKey is HGOPIQTYGFYEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N5/c1-58(2,3)52-47(37-24-12-8-13-25-37)50(51-49-46(61-57(51)53(52)59(4,5)6)35-34-44-42-31-20-21-33-45(42)60-55(44)49)56-48(54(62-64-63-56)38-26-14-9-15-27-38)43-32-19-18-30-41(43)40-29-17-16-28-39(40)36-22-10-7-11-23-36/h7-35H,1-6H3.
What are the key properties of 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole?
3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole has a molecular weight of 826.06 g/mol, XLogP of 13.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-2-phenyl-1-[6-phenyl-5-[2-(2-phenylphenyl)phenyl]triazin-4-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 166134634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).