3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole

C63H39N11 — CID 129163658

IUPAC3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)nc(-c8ccccn8)n7)n6)ccc54)cc3)n2)nc1
InChIInChI=1S/C63H39N11/c1-4-22-56-45(14-1)46-15-2-5-23-57(46)73(56)43-32-27-41(28-33-43)61-70-62(52-19-9-12-37-66-52)72-63(71-61)53-21-13-20-49(67-53)42-29-34-59-48(38-42)47-16-3-6-24-58(47)74(59)44-30-25-40(26-31-44)60-68-54(50-17-7-10-35-64-50)39-55(69-60)51-18-8-11-36-65-51/h1-39H
InChIKeyUVCOWWJYKMWOLL-UHFFFAOYSA-N
MW950.08 g/mol
LogP14.10
Rot. Bonds9

About 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole

3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 129163658) has the molecular formula C63H39N11 and a molecular weight of 950.08 g/mol. Its IUPAC name is 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
PubChem CID129163658
Molecular FormulaC63H39N11
Molecular Weight950.08 g/mol
Exact Mass949.34
IUPAC Name3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)nc(-c8ccccn8)n7)n6)ccc54)cc3)n2)nc1
InChIInChI=1S/C63H39N11/c1-4-22-56-45(14-1)46-15-2-5-23-57(46)73(56)43-32-27-41(28-33-43)61-70-62(52-19-9-12-37-66-52)72-63(71-61)53-21-13-20-49(67-53)42-29-34-59-48(38-42)47-16-3-6-24-58(47)74(59)44-30-25-40(26-31-44)60-68-54(50-17-7-10-35-64-50)39-55(69-60)51-18-8-11-36-65-51/h1-39H
InChIKeyUVCOWWJYKMWOLL-UHFFFAOYSA-N
XLogP14.10
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500950.08
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole (CID 129163658) is 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc(-c7nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)nc(-c8ccccn8)n7)n6)ccc54)cc3)n2)nc1.
What is the InChIKey of 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is UVCOWWJYKMWOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N11/c1-4-22-56-45(14-1)46-15-2-5-23-57(46)73(56)43-32-27-41(28-33-43)61-70-62(52-19-9-12-37-66-52)72-63(71-61)53-21-13-20-49(67-53)42-29-34-59-48(38-42)47-16-3-6-24-58(47)74(59)44-30-25-40(26-31-44)60-68-54(50-17-7-10-35-64-50)39-55(69-60)51-18-8-11-36-65-51/h1-39H.
What are the key properties of 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 950.08 g/mol, XLogP of 14.10, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(4-carbazol-9-ylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2-pyridinyl]-9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 129163658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).