1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol

C28H24N2O3 — CID 122194972

IUPAC1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol
SMILESCOc1c(O)c(C)cc2c1[nH]c1ccc(Cc3ccc(OC)c4[nH]c5ccccc5c34)cc12
InChIInChI=1S/C28H24N2O3/c1-15-12-20-19-14-16(8-10-22(19)29-25(20)28(33-3)27(15)31)13-17-9-11-23(32-2)26-24(17)18-6-4-5-7-21(18)30-26/h4-12,14,29-31H,13H2,1-3H3
InChIKeyVREXQYWDSJMYRW-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.58
Rot. Bonds4

About 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol

1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol (PubChem CID 122194972) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol.

Molecular Properties

Compound Name1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol
PubChem CID122194972
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol
SMILESCOc1c(O)c(C)cc2c1[nH]c1ccc(Cc3ccc(OC)c4[nH]c5ccccc5c34)cc12
InChIInChI=1S/C28H24N2O3/c1-15-12-20-19-14-16(8-10-22(19)29-25(20)28(33-3)27(15)31)13-17-9-11-23(32-2)26-24(17)18-6-4-5-7-21(18)30-26/h4-12,14,29-31H,13H2,1-3H3
InChIKeyVREXQYWDSJMYRW-UHFFFAOYSA-N
XLogP6.58
TPSA70.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol?
The IUPAC name of 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol (CID 122194972) is 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol.
What is the SMILES notation for 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol?
The canonical SMILES for 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol is COc1c(O)c(C)cc2c1[nH]c1ccc(Cc3ccc(OC)c4[nH]c5ccccc5c34)cc12.
What is the InChIKey of 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol?
The InChIKey is VREXQYWDSJMYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-15-12-20-19-14-16(8-10-22(19)29-25(20)28(33-3)27(15)31)13-17-9-11-23(32-2)26-24(17)18-6-4-5-7-21(18)30-26/h4-12,14,29-31H,13H2,1-3H3.
What are the key properties of 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol?
1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol has a molecular weight of 436.51 g/mol, XLogP of 6.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-[(1-methoxy-9H-carbazol-4-yl)methyl]-3-methyl-9H-carbazol-2-ol is sourced from PubChem (CID 122194972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).