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

C30H28N2O4 — CID 54756974

IUPAC6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol
SMILESCOc1c(C)c(C)c2[nH]c3ccc(Cc4c(C)c(OC)c(O)c5c4[nH]c4ccccc45)cc3c2c1O
InChIInChI=1S/C30H28N2O4/c1-14-15(2)29(35-4)28(34)24-20-13-17(10-11-22(20)31-25(14)24)12-19-16(3)30(36-5)27(33)23-18-8-6-7-9-21(18)32-26(19)23/h6-11,13,31-34H,12H2,1-5H3
InChIKeySSRWNIOMQPBZKI-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.90
Rot. Bonds4

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

6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol (PubChem CID 54756974) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol.

Molecular Properties

Compound Name6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol
PubChem CID54756974
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol
SMILESCOc1c(C)c(C)c2[nH]c3ccc(Cc4c(C)c(OC)c(O)c5c4[nH]c4ccccc45)cc3c2c1O
InChIInChI=1S/C30H28N2O4/c1-14-15(2)29(35-4)28(34)24-20-13-17(10-11-22(20)31-25(14)24)12-19-16(3)30(36-5)27(33)23-18-8-6-7-9-21(18)32-26(19)23/h6-11,13,31-34H,12H2,1-5H3
InChIKeySSRWNIOMQPBZKI-UHFFFAOYSA-N
XLogP6.90
TPSA90.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol?
The IUPAC name of 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol (CID 54756974) is 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol.
What is the SMILES notation for 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol?
The canonical SMILES for 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol is COc1c(C)c(C)c2[nH]c3ccc(Cc4c(C)c(OC)c(O)c5c4[nH]c4ccccc45)cc3c2c1O.
What is the InChIKey of 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol?
The InChIKey is SSRWNIOMQPBZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-14-15(2)29(35-4)28(34)24-20-13-17(10-11-22(20)31-25(14)24)12-19-16(3)30(36-5)27(33)23-18-8-6-7-9-21(18)32-26(19)23/h6-11,13,31-34H,12H2,1-5H3.
What are the key properties of 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol?
6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol has a molecular weight of 480.56 g/mol, XLogP of 6.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol is sourced from PubChem (CID 54756974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).