9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole

C44H28N6 — CID 162774177

IUPAC9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1cncc(-c2cc(-c3cccnc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C44H28N6/c1-5-17-40-34(13-1)35-14-2-6-18-41(35)49(40)32-23-31(24-33(25-32)50-42-19-7-3-15-36(42)37-16-4-8-20-43(37)50)44-47-38(29-11-9-21-45-27-29)26-39(48-44)30-12-10-22-46-28-30/h1-28H
InChIKeyRPQXQYJWKZLYCL-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

About 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole

9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 162774177) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
PubChem CID162774177
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1cncc(-c2cc(-c3cccnc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C44H28N6/c1-5-17-40-34(13-1)35-14-2-6-18-41(35)49(40)32-23-31(24-33(25-32)50-42-19-7-3-15-36(42)37-16-4-8-20-43(37)50)44-47-38(29-11-9-21-45-27-29)26-39(48-44)30-12-10-22-46-28-30/h1-28H
InChIKeyRPQXQYJWKZLYCL-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole
CID 151501628
9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356
9-[3-carbazol-9-yl-5-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 168836039
9-(2-pyridin-3-yl-4-pyridinyl)carbazole
CID 171768043
9-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708582
9-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-5-pyridin-3-ylphenyl]carbazole
CID 154950092
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
CID 163429920
9-[3-carbazol-9-yl-5-[2-dibenzothiophen-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422984

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole (CID 162774177) is 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole is c1cncc(-c2cc(-c3cccnc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is RPQXQYJWKZLYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-5-17-40-34(13-1)35-14-2-6-18-41(35)49(40)32-23-31(24-33(25-32)50-42-19-7-3-15-36(42)37-16-4-8-20-43(37)50)44-47-38(29-11-9-21-45-27-29)26-39(48-44)30-12-10-22-46-28-30/h1-28H.
What are the key properties of 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 162774177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).