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

C27H22N2O2 — CID 122194975

IUPAC9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol
SMILESCOc1cc(Cn2c3ccccc3c3cc(C)c(O)cc32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C27H22N2O2/c1-16-11-20-19-8-4-6-10-23(19)29(24(20)14-25(16)30)15-17-12-21-18-7-3-5-9-22(18)28-27(21)26(13-17)31-2/h3-14,28,30H,15H2,1-2H3
InChIKeyMJDYWDBSCYNOTB-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.50
Rot. Bonds3

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

9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol (PubChem CID 122194975) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol.

Molecular Properties

Compound Name9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol
PubChem CID122194975
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol
SMILESCOc1cc(Cn2c3ccccc3c3cc(C)c(O)cc32)cc2c1[nH]c1ccccc12
InChIInChI=1S/C27H22N2O2/c1-16-11-20-19-8-4-6-10-23(19)29(24(20)14-25(16)30)15-17-12-21-18-7-3-5-9-22(18)28-27(21)26(13-17)31-2/h3-14,28,30H,15H2,1-2H3
InChIKeyMJDYWDBSCYNOTB-UHFFFAOYSA-N
XLogP6.50
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
The IUPAC name of 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol (CID 122194975) is 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol.
What is the SMILES notation for 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
The canonical SMILES for 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol is COc1cc(Cn2c3ccccc3c3cc(C)c(O)cc32)cc2c1[nH]c1ccccc12.
What is the InChIKey of 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
The InChIKey is MJDYWDBSCYNOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-16-11-20-19-8-4-6-10-23(19)29(24(20)14-25(16)30)15-17-12-21-18-7-3-5-9-22(18)28-27(21)26(13-17)31-2/h3-14,28,30H,15H2,1-2H3.
What are the key properties of 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol?
9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol has a molecular weight of 406.49 g/mol, XLogP of 6.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazol-2-ol is sourced from PubChem (CID 122194975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).