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

C28H24N2O3 — CID 122194973

IUPAC1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol
SMILESCOc1cc(Cn2c3ccccc3c3cc(C)c(O)c(OC)c32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C28H24N2O3/c1-16-12-21-19-9-5-7-11-23(19)30(26(21)28(33-3)27(16)31)15-17-13-20-18-8-4-6-10-22(18)29-25(20)24(14-17)32-2/h4-14,29,31H,15H2,1-3H3
InChIKeyQYBRVLDQGNFHFN-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.51
Rot. Bonds4

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

1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol (PubChem CID 122194973) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol.

Molecular Properties

Compound Name1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol
PubChem CID122194973
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol
SMILESCOc1cc(Cn2c3ccccc3c3cc(C)c(O)c(OC)c32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C28H24N2O3/c1-16-12-21-19-9-5-7-11-23(19)30(26(21)28(33-3)27(16)31)15-17-13-20-18-8-4-6-10-22(18)29-25(20)24(14-17)32-2/h4-14,29,31H,15H2,1-3H3
InChIKeyQYBRVLDQGNFHFN-UHFFFAOYSA-N
XLogP6.51
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
The IUPAC name of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol (CID 122194973) is 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol.
What is the SMILES notation for 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
The canonical SMILES for 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol is COc1cc(Cn2c3ccccc3c3cc(C)c(O)c(OC)c32)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
The InChIKey is QYBRVLDQGNFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-16-12-21-19-9-5-7-11-23(19)30(26(21)28(33-3)27(16)31)15-17-13-20-18-8-4-6-10-22(18)29-25(20)24(14-17)32-2/h4-14,29,31H,15H2,1-3H3.
What are the key properties of 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol has a molecular weight of 436.51 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol is sourced from PubChem (CID 122194973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).