9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine

C41H28BrN3 — CID 118232016

IUPAC9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine
SMILESBrc1cccc(C2(c3ccccc3)c3ccccc3N(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c3ccccc32)c1
InChIInChI=1S/C41H28BrN3/c42-33-22-14-21-32(27-33)41(31-19-8-3-9-20-31)34-23-10-12-25-38(34)45(39-26-13-11-24-35(39)41)40-43-36(29-15-4-1-5-16-29)28-37(44-40)30-17-6-2-7-18-30/h1-28H
InChIKeyUUNSRSCCWCMOPW-UHFFFAOYSA-N
MW642.60 g/mol
LogP10.74
Rot. Bonds5

About 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine

9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine (PubChem CID 118232016) has the molecular formula C41H28BrN3 and a molecular weight of 642.60 g/mol. Its IUPAC name is 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine.

Molecular Properties

Compound Name9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine
PubChem CID118232016
Molecular FormulaC41H28BrN3
Molecular Weight642.60 g/mol
Exact Mass641.15
IUPAC Name9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine
SMILESBrc1cccc(C2(c3ccccc3)c3ccccc3N(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c3ccccc32)c1
InChIInChI=1S/C41H28BrN3/c42-33-22-14-21-32(27-33)41(31-19-8-3-9-20-31)34-23-10-12-25-38(34)45(39-26-13-11-24-35(39)41)40-43-36(29-15-4-1-5-16-29)28-37(44-40)30-17-6-2-7-18-30/h1-28H
InChIKeyUUNSRSCCWCMOPW-UHFFFAOYSA-N
XLogP10.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.60
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

14-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-10,10-diphenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 67472191
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
13-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 154028256
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273154
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 71007094
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine?
The IUPAC name of 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine (CID 118232016) is 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine.
What is the SMILES notation for 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine?
The canonical SMILES for 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine is Brc1cccc(C2(c3ccccc3)c3ccccc3N(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c3ccccc32)c1.
What is the InChIKey of 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine?
The InChIKey is UUNSRSCCWCMOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28BrN3/c42-33-22-14-21-32(27-33)41(31-19-8-3-9-20-31)34-23-10-12-25-38(34)45(39-26-13-11-24-35(39)41)40-43-36(29-15-4-1-5-16-29)28-37(44-40)30-17-6-2-7-18-30/h1-28H.
What are the key properties of 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine?
9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine has a molecular weight of 642.60 g/mol, XLogP of 10.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine is sourced from PubChem (CID 118232016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).