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

C30H24N2O — CID 102336522

IUPAC1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
SMILESCCn1c2ccccc2c2cc3c(cc21)c(-c1ccccc1)c(-c1ccccc1)n3C(C)=O
InChIInChI=1S/C30H24N2O/c1-3-31-26-17-11-10-16-23(26)24-18-28-25(19-27(24)31)29(21-12-6-4-7-13-21)30(32(28)20(2)33)22-14-8-5-9-15-22/h4-19H,3H2,1-2H3
InChIKeyLLTFIZKCAUVHCM-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.76
Rot. Bonds3

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

1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone (PubChem CID 102336522) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
PubChem CID102336522
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
SMILESCCn1c2ccccc2c2cc3c(cc21)c(-c1ccccc1)c(-c1ccccc1)n3C(C)=O
InChIInChI=1S/C30H24N2O/c1-3-31-26-17-11-10-16-23(26)24-18-28-25(19-27(24)31)29(21-12-6-4-7-13-21)30(32(28)20(2)33)22-14-8-5-9-15-22/h4-19H,3H2,1-2H3
InChIKeyLLTFIZKCAUVHCM-UHFFFAOYSA-N
XLogP7.76
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336520
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
9-ethylcarbazole-3-carboxylic acid
CID 4912869
1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone
CID 134952924
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
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethylcarbazole-3-carboxylate
CID 7148416
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
The IUPAC name of 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone (CID 102336522) is 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone.
What is the SMILES notation for 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
The canonical SMILES for 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone is CCn1c2ccccc2c2cc3c(cc21)c(-c1ccccc1)c(-c1ccccc1)n3C(C)=O.
What is the InChIKey of 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
The InChIKey is LLTFIZKCAUVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c1-3-31-26-17-11-10-16-23(26)24-18-28-25(19-27(24)31)29(21-12-6-4-7-13-21)30(32(28)20(2)33)22-14-8-5-9-15-22/h4-19H,3H2,1-2H3.
What are the key properties of 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone?
1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone has a molecular weight of 428.54 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone is sourced from PubChem (CID 102336522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).