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

C28H18BrN3 — CID 129221559

IUPAC1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
SMILESBrc1cccc2c3ccccc3n(-c3cnc(-c4ccccc4)nc3-c3ccccc3)c12
InChIInChI=1S/C28H18BrN3/c29-23-16-9-15-22-21-14-7-8-17-24(21)32(27(22)23)25-18-30-28(20-12-5-2-6-13-20)31-26(25)19-10-3-1-4-11-19/h1-18H
InChIKeyUMBWNOVRFZINIO-UHFFFAOYSA-N
MW476.38 g/mol
LogP7.67
Rot. Bonds3

About 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole

1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole (PubChem CID 129221559) has the molecular formula C28H18BrN3 and a molecular weight of 476.38 g/mol. Its IUPAC name is 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole.

Molecular Properties

Compound Name1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
PubChem CID129221559
Molecular FormulaC28H18BrN3
Molecular Weight476.38 g/mol
Exact Mass475.07
IUPAC Name1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
SMILESBrc1cccc2c3ccccc3n(-c3cnc(-c4ccccc4)nc3-c3ccccc3)c12
InChIInChI=1S/C28H18BrN3/c29-23-16-9-15-22-21-14-7-8-17-24(21)32(27(22)23)25-18-30-28(20-12-5-2-6-13-20)31-26(25)19-10-3-1-4-11-19/h1-18H
InChIKeyUMBWNOVRFZINIO-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

4-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
CID 118587876
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
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
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
5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221509
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
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
12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole
CID 166922700
4-(2,4-diphenylpyrimidin-5-yl)-19,19-dimethyl-15-thia-4-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18(26),20,22,24-dodecaene
CID 163774483
9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 155371729
14-(3,5-dimethylphenyl)-29-(2,4-diphenylpyrimidin-5-yl)-18-thia-14,29-diazaoctacyclo[15.14.0.03,15.04,13.07,12.019,31.022,30.023,28]hentriaconta-1(17),2,4(13),5,7,9,11,15,19(31),20,22(30),23,25,27-tetradecaene
CID 130398060

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
The IUPAC name of 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole (CID 129221559) is 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole.
What is the SMILES notation for 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
The canonical SMILES for 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole is Brc1cccc2c3ccccc3n(-c3cnc(-c4ccccc4)nc3-c3ccccc3)c12.
What is the InChIKey of 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
The InChIKey is UMBWNOVRFZINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrN3/c29-23-16-9-15-22-21-14-7-8-17-24(21)32(27(22)23)25-18-30-28(20-12-5-2-6-13-20)31-26(25)19-10-3-1-4-11-19/h1-18H.
What are the key properties of 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole?
1-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 1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole is sourced from PubChem (CID 129221559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).