9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole

C52H35N3 — CID 123639414

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H35N3/c1-5-15-36(16-6-1)40-23-13-25-42(31-40)44-27-29-50-46(33-44)47-34-45(43-26-14-24-41(32-43)37-17-7-2-8-18-37)28-30-51(47)55(50)52-53-48(38-19-9-3-10-20-38)35-49(54-52)39-21-11-4-12-22-39/h1-35H
InChIKeyJWFXLVOESWLIRK-UHFFFAOYSA-N
MW701.87 g/mol
LogP13.58
Rot. Bonds7

About 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole

9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole (PubChem CID 123639414) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
PubChem CID123639414
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H35N3/c1-5-15-36(16-6-1)40-23-13-25-42(31-40)44-27-29-50-46(33-44)47-34-45(43-26-14-24-41(32-43)37-17-7-2-8-18-37)28-30-51(47)55(50)52-53-48(38-19-9-3-10-20-38)35-49(54-52)39-21-11-4-12-22-39/h1-35H
InChIKeyJWFXLVOESWLIRK-UHFFFAOYSA-N
XLogP13.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
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
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
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-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506873
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 144573716
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118506889
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-1-ylcarbazole
CID 88559195

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole (CID 123639414) is 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole?
The InChIKey is JWFXLVOESWLIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-5-15-36(16-6-1)40-23-13-25-42(31-40)44-27-29-50-46(33-44)47-34-45(43-26-14-24-41(32-43)37-17-7-2-8-18-37)28-30-51(47)55(50)52-53-48(38-19-9-3-10-20-38)35-49(54-52)39-21-11-4-12-22-39/h1-35H.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole?
9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole has a molecular weight of 701.87 g/mol, XLogP of 13.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole is sourced from PubChem (CID 123639414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).