12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

C46H33N5 — CID 163972576

IUPAC12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCN1C(c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C46H33N5/c1-49-45(32-18-7-3-8-19-32)47-44(31-16-5-2-6-17-31)48-46(49)33-20-15-23-35(30-33)51-39-26-13-11-24-36(39)37-28-29-41-42(43(37)51)38-25-12-14-27-40(38)50(41)34-21-9-4-10-22-34/h2-30,45H,1H3
InChIKeySRHFEUQEUARESI-UHFFFAOYSA-N
MW655.81 g/mol
LogP10.72
Rot. Bonds5

About 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 163972576) has the molecular formula C46H33N5 and a molecular weight of 655.81 g/mol. Its IUPAC name is 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID163972576
Molecular FormulaC46H33N5
Molecular Weight655.81 g/mol
Exact Mass655.27
IUPAC Name12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCN1C(c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C46H33N5/c1-49-45(32-18-7-3-8-19-32)47-44(31-16-5-2-6-17-31)48-46(49)33-20-15-23-35(30-33)51-39-26-13-11-24-36(39)37-28-29-41-42(43(37)51)38-25-12-14-27-40(38)50(41)34-21-9-4-10-22-34/h2-30,45H,1H3
InChIKeySRHFEUQEUARESI-UHFFFAOYSA-N
XLogP10.72
TPSA37.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.81
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
CID 145092783
6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228656
9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
CID 118145242
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593

Frequently Asked Questions

What is the IUPAC name of 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 163972576) is 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is CN1C(c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)=NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is SRHFEUQEUARESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5/c1-49-45(32-18-7-3-8-19-32)47-44(31-16-5-2-6-17-31)48-46(49)33-20-15-23-35(30-33)51-39-26-13-11-24-36(39)37-28-29-41-42(43(37)51)38-25-12-14-27-40(38)50(41)34-21-9-4-10-22-34/h2-30,45H,1H3.
What are the key properties of 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 655.81 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 163972576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).