9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole

C37H23N7 — CID 59194538

IUPAC9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ncc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cn2)cc1
InChIInChI=1S/C37H23N7/c1-2-12-24(13-3-1)34-38-22-25(23-39-34)35-40-36(43-30-18-8-4-14-26(30)27-15-5-9-19-31(27)43)42-37(41-35)44-32-20-10-6-16-28(32)29-17-7-11-21-33(29)44/h1-23H
InChIKeyHSNMMIOVKVNCLM-UHFFFAOYSA-N
MW565.64 g/mol
LogP8.19
Rot. Bonds4

About 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 59194538) has the molecular formula C37H23N7 and a molecular weight of 565.64 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID59194538
Molecular FormulaC37H23N7
Molecular Weight565.64 g/mol
Exact Mass565.20
IUPAC Name9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ncc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cn2)cc1
InChIInChI=1S/C37H23N7/c1-2-12-24(13-3-1)34-38-22-25(23-39-34)35-40-36(43-30-18-8-4-14-26(30)27-15-5-9-19-31(27)43)42-37(41-35)44-32-20-10-6-16-28(32)29-17-7-11-21-33(29)44/h1-23H
InChIKeyHSNMMIOVKVNCLM-UHFFFAOYSA-N
XLogP8.19
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole (CID 59194538) is 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ncc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cn2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is HSNMMIOVKVNCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N7/c1-2-12-24(13-3-1)34-38-22-25(23-39-34)35-40-36(43-30-18-8-4-14-26(30)27-15-5-9-19-31(27)43)42-37(41-35)44-32-20-10-6-16-28(32)29-17-7-11-21-33(29)44/h1-23H.
What are the key properties of 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 565.64 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 59194538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).