4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine

C24H23N3O — CID 91210328

IUPAC4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine
SMILESCOc1ccccc1-c1cc2c(c3c[nH]cc13)c1cc(N(C)C)ccc1n2C
InChIInChI=1S/C24H23N3O/c1-26(2)15-9-10-21-18(11-15)24-20-14-25-13-19(20)17(12-22(24)27(21)3)16-7-5-6-8-23(16)28-4/h5-14,25H,1-4H3
InChIKeyCMFAHHVJDPPNHB-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.55
Rot. Bonds3

About 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine

4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine (PubChem CID 91210328) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine
PubChem CID91210328
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine
SMILESCOc1ccccc1-c1cc2c(c3c[nH]cc13)c1cc(N(C)C)ccc1n2C
InChIInChI=1S/C24H23N3O/c1-26(2)15-9-10-21-18(11-15)24-20-14-25-13-19(20)17(12-22(24)27(21)3)16-7-5-6-8-23(16)28-4/h5-14,25H,1-4H3
InChIKeyCMFAHHVJDPPNHB-UHFFFAOYSA-N
XLogP5.55
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine?
The IUPAC name of 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine (CID 91210328) is 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine is COc1ccccc1-c1cc2c(c3c[nH]cc13)c1cc(N(C)C)ccc1n2C.
What is the InChIKey of 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine?
The InChIKey is CMFAHHVJDPPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-26(2)15-9-10-21-18(11-15)24-20-14-25-13-19(20)17(12-22(24)27(21)3)16-7-5-6-8-23(16)28-4/h5-14,25H,1-4H3.
What are the key properties of 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine?
4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine has a molecular weight of 369.47 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N,N,6-trimethyl-2H-pyrrolo[3,4-c]carbazol-9-amine is sourced from PubChem (CID 91210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).