1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone

C30H23BrN2O — CID 102336520

IUPAC1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
SMILESCCn1c2ccc(Br)cc2c2cc3c(cc21)c(-c1ccccc1)c(-c1ccccc1)n3C(C)=O
InChIInChI=1S/C30H23BrN2O/c1-3-32-26-15-14-22(31)16-23(26)24-17-28-25(18-27(24)32)29(20-10-6-4-7-11-20)30(33(28)19(2)34)21-12-8-5-9-13-21/h4-18H,3H2,1-2H3
InChIKeyDZDNXHBYUZJHGL-UHFFFAOYSA-N
MW507.43 g/mol
LogP8.53
Rot. Bonds3

About 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone

1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone (PubChem CID 102336520) has the molecular formula C30H23BrN2O and a molecular weight of 507.43 g/mol. Its IUPAC name is 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
PubChem CID102336520
Molecular FormulaC30H23BrN2O
Molecular Weight507.43 g/mol
Exact Mass506.10
IUPAC Name1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
SMILESCCn1c2ccc(Br)cc2c2cc3c(cc21)c(-c1ccccc1)c(-c1ccccc1)n3C(C)=O
InChIInChI=1S/C30H23BrN2O/c1-3-32-26-15-14-22(31)16-23(26)24-17-28-25(18-27(24)32)29(20-10-6-4-7-11-20)30(33(28)19(2)34)21-12-8-5-9-13-21/h4-18H,3H2,1-2H3
InChIKeyDZDNXHBYUZJHGL-UHFFFAOYSA-N
XLogP8.53
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.43
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336522
2,8-dibromo-5,11-dihexyl-6,12-diphenylindolo[3,2-b]carbazole
CID 56851506
6-bromo-9-ethyl-1-phenylcarbazole
CID 174702524
3-bromo-5,6-diphenylcinnolino[2,1-b]phthalazine-8,13-dione
CID 132991804
1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
CID 102223215
4-acetyl-6-bromo-1-ethylquinolin-2-one
CID 134910530
1-(2,7-dibromocarbazol-9-yl)ethanone
CID 58556563
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
CID 121447553
3-bromo-6-(1,2-diphenylethenyl)-9-ethylcarbazole
CID 141498099
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate
CID 10320900

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
The IUPAC name of 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone (CID 102336520) is 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
The canonical SMILES for 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone is CCn1c2ccc(Br)cc2c2cc3c(cc21)c(-c1ccccc1)c(-c1ccccc1)n3C(C)=O.
What is the InChIKey of 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
The InChIKey is DZDNXHBYUZJHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrN2O/c1-3-32-26-15-14-22(31)16-23(26)24-17-28-25(18-27(24)32)29(20-10-6-4-7-11-20)30(33(28)19(2)34)21-12-8-5-9-13-21/h4-18H,3H2,1-2H3.
What are the key properties of 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone has a molecular weight of 507.43 g/mol, XLogP of 8.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone is sourced from PubChem (CID 102336520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).