3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole

C50H32N6 — CID 146572869

IUPAC3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-16-33(17-5-1)41-31-47(53-49(51-41)35-20-8-3-9-21-35)56-45-27-15-12-24-39(45)40-30-36(28-29-46(40)56)50-52-42(34-18-6-2-7-19-34)32-48(54-50)55-43-25-13-10-22-37(43)38-23-11-14-26-44(38)55/h1-32H
InChIKeyPJCLWMYGWYHPJQ-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

About 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole

3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole (PubChem CID 146572869) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
PubChem CID146572869
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-16-33(17-5-1)41-31-47(53-49(51-41)35-20-8-3-9-21-35)56-45-27-15-12-24-39(45)40-30-36(28-29-46(40)56)50-52-42(34-18-6-2-7-19-34)32-48(54-50)55-43-25-13-10-22-37(43)38-23-11-14-26-44(38)55/h1-32H
InChIKeyPJCLWMYGWYHPJQ-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158952641
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161289745
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
CID 159773020
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The IUPAC name of 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole (CID 146572869) is 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole.
What is the SMILES notation for 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The canonical SMILES for 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The InChIKey is PJCLWMYGWYHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-4-16-33(17-5-1)41-31-47(53-49(51-41)35-20-8-3-9-21-35)56-45-27-15-12-24-39(45)40-30-36(28-29-46(40)56)50-52-42(34-18-6-2-7-19-34)32-48(54-50)55-43-25-13-10-22-37(43)38-23-11-14-26-44(38)55/h1-32H.
What are the key properties of 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 146572869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).