9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole

C34H25BrN4 — CID 135160707

IUPAC9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESCN1C(c2cccc(Br)c2-n2c3ccccc3c3ccccc32)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C34H25BrN4/c1-38-33(24-15-6-3-7-16-24)36-32(23-13-4-2-5-14-23)37-34(38)27-19-12-20-28(35)31(27)39-29-21-10-8-17-25(29)26-18-9-11-22-30(26)39/h2-22,33H,1H3
InChIKeyTWKYQMKELAVHAB-UHFFFAOYSA-N
MW569.51 g/mol
LogP8.38
Rot. Bonds4

About 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole

9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole (PubChem CID 135160707) has the molecular formula C34H25BrN4 and a molecular weight of 569.51 g/mol. Its IUPAC name is 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole
PubChem CID135160707
Molecular FormulaC34H25BrN4
Molecular Weight569.51 g/mol
Exact Mass568.13
IUPAC Name9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESCN1C(c2cccc(Br)c2-n2c3ccccc3c3ccccc32)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C34H25BrN4/c1-38-33(24-15-6-3-7-16-24)36-32(23-13-4-2-5-14-23)37-34(38)27-19-12-20-28(35)31(27)39-29-21-10-8-17-25(29)26-18-9-11-22-30(26)39/h2-22,33H,1H3
InChIKeyTWKYQMKELAVHAB-UHFFFAOYSA-N
XLogP8.38
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.51
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163972576
7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163832485
9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
CID 118145242
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole
CID 123583824
2-[4-[4-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 146647308
4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
CID 145092783
16-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 145110153
1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
CID 122431241
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
5-[5-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)thieno[2,3-b]thiophen-2-yl]-3,9-diphenylcarbazole
CID 129022069
5'-[3-[3-methyl-6-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazin-4-yl]phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]
CID 152823383

Frequently Asked Questions

What is the IUPAC name of 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole (CID 135160707) is 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole is CN1C(c2cccc(Br)c2-n2c3ccccc3c3ccccc32)=NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole?
The InChIKey is TWKYQMKELAVHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25BrN4/c1-38-33(24-15-6-3-7-16-24)36-32(23-13-4-2-5-14-23)37-34(38)27-19-12-20-28(35)31(27)39-29-21-10-8-17-25(29)26-18-9-11-22-30(26)39/h2-22,33H,1H3.
What are the key properties of 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole?
9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole has a molecular weight of 569.51 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole is sourced from PubChem (CID 135160707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).