8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole

C24H22N2O — CID 91096533

IUPAC8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole
SMILESCCc1cc2c(cc1OC)c1c3c[nH]cc3c(-c3ccccc3)cc1n2C
InChIInChI=1S/C24H22N2O/c1-4-15-10-21-18(12-23(15)27-3)24-20-14-25-13-19(20)17(11-22(24)26(21)2)16-8-6-5-7-9-16/h5-14,25H,4H2,1-3H3
InChIKeyJGJZCALFGPTCDV-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.05
Rot. Bonds3

About 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole

8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole (PubChem CID 91096533) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole.

Molecular Properties

Compound Name8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole
PubChem CID91096533
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole
SMILESCCc1cc2c(cc1OC)c1c3c[nH]cc3c(-c3ccccc3)cc1n2C
InChIInChI=1S/C24H22N2O/c1-4-15-10-21-18(12-23(15)27-3)24-20-14-25-13-19(20)17(11-22(24)26(21)2)16-8-6-5-7-9-16/h5-14,25H,4H2,1-3H3
InChIKeyJGJZCALFGPTCDV-UHFFFAOYSA-N
XLogP6.05
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole?
The IUPAC name of 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole (CID 91096533) is 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole.
What is the SMILES notation for 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole?
The canonical SMILES for 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole is CCc1cc2c(cc1OC)c1c3c[nH]cc3c(-c3ccccc3)cc1n2C.
What is the InChIKey of 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole?
The InChIKey is JGJZCALFGPTCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-4-15-10-21-18(12-23(15)27-3)24-20-14-25-13-19(20)17(11-22(24)26(21)2)16-8-6-5-7-9-16/h5-14,25H,4H2,1-3H3.
What are the key properties of 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole?
8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole has a molecular weight of 354.45 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-methoxy-6-methyl-4-phenyl-2H-pyrrolo[3,4-c]carbazole is sourced from PubChem (CID 91096533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).