1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole

C32H24Br2N2 — CID 90139024

IUPAC1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
SMILESCc1ccc(-c2cc3c(cc(-c4ccc(C)cc4)n3-c3ccc(Br)cc3)n2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H24Br2N2/c1-21-3-7-23(8-4-21)29-19-31-32(35(29)27-15-11-25(33)12-16-27)20-30(24-9-5-22(2)6-10-24)36(31)28-17-13-26(34)14-18-28/h3-20H,1-2H3
InChIKeyYKWHCAIIEQYRPO-UHFFFAOYSA-N
MW596.37 g/mol
LogP9.90
Rot. Bonds4

About 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole

1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole (PubChem CID 90139024) has the molecular formula C32H24Br2N2 and a molecular weight of 596.37 g/mol. Its IUPAC name is 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
PubChem CID90139024
Molecular FormulaC32H24Br2N2
Molecular Weight596.37 g/mol
Exact Mass594.03
IUPAC Name1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
SMILESCc1ccc(-c2cc3c(cc(-c4ccc(C)cc4)n3-c3ccc(Br)cc3)n2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H24Br2N2/c1-21-3-7-23(8-4-21)29-19-31-32(35(29)27-15-11-25(33)12-16-27)20-30(24-9-5-22(2)6-10-24)36(31)28-17-13-26(34)14-18-28/h3-20H,1-2H3
InChIKeyYKWHCAIIEQYRPO-UHFFFAOYSA-N
XLogP9.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.37
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1,2-bis(4-methylphenyl)-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolo[3,2-b]pyrrol-5-yl]phenyl]-pentafluoro-λ6-sulfane
CID 118346325
1,2-bis(4-methylphenyl)indole
CID 151814608
4-[4-(4-chlorophenyl)-5-(4-cyanophenyl)-1-(4-methylphenyl)pyrrolo[3,2-b]pyrrol-2-yl]benzonitrile
CID 134566035
4-[2,5-bis(4-methylphenyl)-4-(4-nitrophenyl)pyrrolo[3,2-b]pyrrol-1-yl]aniline
CID 134566023
1-bromo-4-methylbenzene;trihydrofluoride
CID 172815118
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-(4-bromophenyl)-6-methyl-9-triphenylen-2-ylcarbazole
CID 89492367
1-(4-bromophenyl)-2,5-dimethylpyrrole
CID 2739609
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
CID 3509542
2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide
CID 126958128
1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3-carbaldehyde
CID 4772525
3-[1-(4-bromophenyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid
CID 1320266

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
The IUPAC name of 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole (CID 90139024) is 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
The canonical SMILES for 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole is Cc1ccc(-c2cc3c(cc(-c4ccc(C)cc4)n3-c3ccc(Br)cc3)n2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
The InChIKey is YKWHCAIIEQYRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Br2N2/c1-21-3-7-23(8-4-21)29-19-31-32(35(29)27-15-11-25(33)12-16-27)20-30(24-9-5-22(2)6-10-24)36(31)28-17-13-26(34)14-18-28/h3-20H,1-2H3.
What are the key properties of 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole?
1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole has a molecular weight of 596.37 g/mol, XLogP of 9.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-bromophenyl)-2,5-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 90139024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).