4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole

C28H18BrN3 — CID 118587876

IUPAC4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
SMILESBrc1cccc2c1c1ccccc1n2-c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H18BrN3/c29-22-15-9-17-24-26(22)21-14-7-8-16-23(21)32(24)25-18-30-28(20-12-5-2-6-13-20)31-27(25)19-10-3-1-4-11-19/h1-18H
InChIKeyNJGONZQJWPAUFR-UHFFFAOYSA-N
MW476.38 g/mol
LogP7.67
Rot. Bonds3

About 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole

4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole (PubChem CID 118587876) has the molecular formula C28H18BrN3 and a molecular weight of 476.38 g/mol. Its IUPAC name is 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole.

Molecular Properties

Compound Name4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
PubChem CID118587876
Molecular FormulaC28H18BrN3
Molecular Weight476.38 g/mol
Exact Mass475.07
IUPAC Name4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
SMILESBrc1cccc2c1c1ccccc1n2-c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H18BrN3/c29-22-15-9-17-24-26(22)21-14-7-8-16-23(21)32(24)25-18-30-28(20-12-5-2-6-13-20)31-27(25)19-10-3-1-4-11-19/h1-18H
InChIKeyNJGONZQJWPAUFR-UHFFFAOYSA-N
XLogP7.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
CID 129221559
3-(2,4-diphenylpyrimidin-5-yl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414573
16-(2,4-diphenylpyrimidin-5-yl)-24-phenyl-16,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(14),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 144609206
12-(2,4-diphenylpyrimidin-5-yl)-12,19-diazaoctacyclo[17.10.1.02,18.03,15.05,13.06,11.020,25.026,30]triaconta-1(29),2(18),3,5(13),6,8,10,14,16,20,22,24,26(30),27-tetradecaene
CID 134437170
3-(2,4-diphenylpyrimidin-5-yl)-25-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 126737856
3-(2,4-diphenylpyrimidin-5-yl)-11,11-dimethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 144609327
CID 140790252
CID 140790252
6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 161381057
5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221509
4-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 158417325
4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118034815
4-phenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
The IUPAC name of 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole (CID 118587876) is 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole.
What is the SMILES notation for 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
The canonical SMILES for 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole is Brc1cccc2c1c1ccccc1n2-c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
The InChIKey is NJGONZQJWPAUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrN3/c29-22-15-9-17-24-26(22)21-14-7-8-16-23(21)32(24)25-18-30-28(20-12-5-2-6-13-20)31-27(25)19-10-3-1-4-11-19/h1-18H.
What are the key properties of 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole has a molecular weight of 476.38 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole is sourced from PubChem (CID 118587876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).