12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole

C43H33N5 — CID 118504548

IUPAC12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESCCc1ccc(-c2nc(-c3ccc(CC)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C43H33N5/c1-3-28-18-22-30(23-19-28)41-44-42(31-24-20-29(4-2)21-25-31)46-43(45-41)48-36-16-10-8-14-33(36)34-26-27-38-39(40(34)48)35-15-9-11-17-37(35)47(38)32-12-6-5-7-13-32/h5-27H,3-4H2,1-2H3
InChIKeyWLSRGYHYOXLRTM-UHFFFAOYSA-N
MW619.77 g/mol
LogP10.52
Rot. Bonds6

About 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole

12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 118504548) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
PubChem CID118504548
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESCCc1ccc(-c2nc(-c3ccc(CC)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C43H33N5/c1-3-28-18-22-30(23-19-28)41-44-42(31-24-20-29(4-2)21-25-31)46-43(45-41)48-36-16-10-8-14-33(36)34-26-27-38-39(40(34)48)35-15-9-11-17-37(35)47(38)32-12-6-5-7-13-32/h5-27H,3-4H2,1-2H3
InChIKeyWLSRGYHYOXLRTM-UHFFFAOYSA-N
XLogP10.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4,6-bis(4-ethylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118504640
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 129141718
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 165033294
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037225
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (CID 118504548) is 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is CCc1ccc(-c2nc(-c3ccc(CC)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is WLSRGYHYOXLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c1-3-28-18-22-30(23-19-28)41-44-42(31-24-20-29(4-2)21-25-31)46-43(45-41)48-36-16-10-8-14-33(36)34-26-27-38-39(40(34)48)35-15-9-11-17-37(35)47(38)32-12-6-5-7-13-32/h5-27H,3-4H2,1-2H3.
What are the key properties of 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 619.77 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 118504548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).