9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole

C34H24BrN3 — CID 146489535

IUPAC9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
SMILESBrc1ccc(-c2cc(-c3ccc(-n4c5c(c6ccccc64)C=CCC5)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H24BrN3/c35-26-18-14-23(15-19-26)30-22-31(37-34(36-30)25-8-2-1-3-9-25)24-16-20-27(21-17-24)38-32-12-6-4-10-28(32)29-11-5-7-13-33(29)38/h1-6,8-12,14-22H,7,13H2
InChIKeyFYUXNJJCRQXURB-UHFFFAOYSA-N
MW554.49 g/mol
LogP9.14
Rot. Bonds4

About 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole

9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole (PubChem CID 146489535) has the molecular formula C34H24BrN3 and a molecular weight of 554.49 g/mol. Its IUPAC name is 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
PubChem CID146489535
Molecular FormulaC34H24BrN3
Molecular Weight554.49 g/mol
Exact Mass553.12
IUPAC Name9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
SMILESBrc1ccc(-c2cc(-c3ccc(-n4c5c(c6ccccc64)C=CCC5)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H24BrN3/c35-26-18-14-23(15-19-26)30-22-31(37-34(36-30)25-8-2-1-3-9-25)24-16-20-27(21-17-24)38-32-12-6-4-10-28(32)29-11-5-7-13-33(29)38/h1-6,8-12,14-22H,7,13H2
InChIKeyFYUXNJJCRQXURB-UHFFFAOYSA-N
XLogP9.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.49
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170205976
2-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118587629

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole (CID 146489535) is 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole is Brc1ccc(-c2cc(-c3ccc(-n4c5c(c6ccccc64)C=CCC5)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole?
The InChIKey is FYUXNJJCRQXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24BrN3/c35-26-18-14-23(15-19-26)30-22-31(37-34(36-30)25-8-2-1-3-9-25)24-16-20-27(21-17-24)38-32-12-6-4-10-28(32)29-11-5-7-13-33(29)38/h1-6,8-12,14-22H,7,13H2.
What are the key properties of 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole?
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole has a molecular weight of 554.49 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 146489535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).