2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

C34H22BrN3 — CID 118587629

IUPAC2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c2c1
InChIInChI=1S/C34H22BrN3/c35-26-17-20-29-28-13-7-8-14-32(28)38(33(29)21-26)27-18-15-25(16-19-27)34-36-30(23-9-3-1-4-10-23)22-31(37-34)24-11-5-2-6-12-24/h1-22H
InChIKeyAMNPMODQSCIMMB-UHFFFAOYSA-N
MW552.48 g/mol
LogP9.34
Rot. Bonds4

About 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 118587629) has the molecular formula C34H22BrN3 and a molecular weight of 552.48 g/mol. Its IUPAC name is 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID118587629
Molecular FormulaC34H22BrN3
Molecular Weight552.48 g/mol
Exact Mass551.10
IUPAC Name2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c2c1
InChIInChI=1S/C34H22BrN3/c35-26-17-20-29-28-13-7-8-14-32(28)38(33(29)21-26)27-18-15-25(16-19-27)34-36-30(23-9-3-1-4-10-23)22-31(37-34)24-11-5-2-6-12-24/h1-22H
InChIKeyAMNPMODQSCIMMB-UHFFFAOYSA-N
XLogP9.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.48
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
2-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;2-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;2-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 161315478
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
11-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-b]carbazole
CID 121385495
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 158761140
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 159556632
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (CID 118587629) is 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is Brc1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c2c1.
What is the InChIKey of 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is AMNPMODQSCIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrN3/c35-26-17-20-29-28-13-7-8-14-32(28)38(33(29)21-26)27-18-15-25(16-19-27)34-36-30(23-9-3-1-4-10-23)22-31(37-34)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 552.48 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118587629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).