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

C45H31N5 — CID 137198394

IUPAC3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H31N5/c1-3-11-29(12-4-1)43-47-44(30-13-5-2-6-14-30)49-45(48-43)31-19-23-34(24-20-31)50-41-18-10-8-16-36(41)38-28-33(22-26-42(38)50)32-21-25-40-37(27-32)35-15-7-9-17-39(35)46-40/h1-28,43,46H,(H,47,48,49)
InChIKeyOHGGXLXBLVPOGB-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.58
Rot. Bonds5

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

3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole (PubChem CID 137198394) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
PubChem CID137198394
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)cc3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H31N5/c1-3-11-29(12-4-1)43-47-44(30-13-5-2-6-14-30)49-45(48-43)31-19-23-34(24-20-31)50-41-18-10-8-16-36(41)38-28-33(22-26-42(38)50)32-21-25-40-37(27-32)35-15-7-9-17-39(35)46-40/h1-28,43,46H,(H,47,48,49)
InChIKeyOHGGXLXBLVPOGB-UHFFFAOYSA-N
XLogP10.58
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137123817
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
7-[4-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166961463
2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 153304562
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782
3-[3-[4-[3-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 159827269

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole (CID 137198394) is 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)cc3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The InChIKey is OHGGXLXBLVPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-3-11-29(12-4-1)43-47-44(30-13-5-2-6-14-30)49-45(48-43)31-19-23-34(24-20-31)50-41-18-10-8-16-36(41)38-28-33(22-26-42(38)50)32-21-25-40-37(27-32)35-15-7-9-17-39(35)46-40/h1-28,43,46H,(H,47,48,49).
What are the key properties of 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole has a molecular weight of 641.78 g/mol, XLogP of 10.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is sourced from PubChem (CID 137198394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).