4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole

C27H22N2O — CID 122194971

IUPAC4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole
SMILESCOc1cc(C)c(Cc2ccc3[nH]c4ccccc4c3c2)c2c1[nH]c1ccccc12
InChIInChI=1S/C27H22N2O/c1-16-13-25(30-2)27-26(19-8-4-6-10-23(19)29-27)20(16)14-17-11-12-24-21(15-17)18-7-3-5-9-22(18)28-24/h3-13,15,28-29H,14H2,1-2H3
InChIKeyVPSSOBMDZQKCLI-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.86
Rot. Bonds3

About 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole

4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole (PubChem CID 122194971) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole.

Molecular Properties

Compound Name4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole
PubChem CID122194971
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole
SMILESCOc1cc(C)c(Cc2ccc3[nH]c4ccccc4c3c2)c2c1[nH]c1ccccc12
InChIInChI=1S/C27H22N2O/c1-16-13-25(30-2)27-26(19-8-4-6-10-23(19)29-27)20(16)14-17-11-12-24-21(15-17)18-7-3-5-9-22(18)28-24/h3-13,15,28-29H,14H2,1-2H3
InChIKeyVPSSOBMDZQKCLI-UHFFFAOYSA-N
XLogP6.86
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole?
The IUPAC name of 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole (CID 122194971) is 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole.
What is the SMILES notation for 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole?
The canonical SMILES for 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole is COc1cc(C)c(Cc2ccc3[nH]c4ccccc4c3c2)c2c1[nH]c1ccccc12.
What is the InChIKey of 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole?
The InChIKey is VPSSOBMDZQKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-16-13-25(30-2)27-26(19-8-4-6-10-23(19)29-27)20(16)14-17-11-12-24-21(15-17)18-7-3-5-9-22(18)28-24/h3-13,15,28-29H,14H2,1-2H3.
What are the key properties of 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole?
4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole has a molecular weight of 390.49 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-3-ylmethyl)-1-methoxy-3-methyl-9H-carbazole is sourced from PubChem (CID 122194971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).