1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol

C38H40N2O4 — CID 102458128

IUPAC1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol
SMILESCOc1ccc2[nH]c3c(-c4c(O)c(C)cc5c4[nH]c4ccc(OC)c(CC=C(C)C)c45)c(O)c(C)cc3c2c1CC=C(C)C
InChIInChI=1S/C38H40N2O4/c1-19(2)9-11-23-29(43-7)15-13-27-31(23)25-17-21(5)37(41)33(35(25)39-27)34-36-26(18-22(6)38(34)42)32-24(12-10-20(3)4)30(44-8)16-14-28(32)40-36/h9-10,13-18,39-42H,11-12H2,1-8H3
InChIKeyXXJKCUFZEUPZBI-UHFFFAOYSA-N
MW588.75 g/mol
LogP9.69
Rot. Bonds7

About 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol

1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol (PubChem CID 102458128) has the molecular formula C38H40N2O4 and a molecular weight of 588.75 g/mol. Its IUPAC name is 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol
PubChem CID102458128
Molecular FormulaC38H40N2O4
Molecular Weight588.75 g/mol
Exact Mass588.30
IUPAC Name1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol
SMILESCOc1ccc2[nH]c3c(-c4c(O)c(C)cc5c4[nH]c4ccc(OC)c(CC=C(C)C)c45)c(O)c(C)cc3c2c1CC=C(C)C
InChIInChI=1S/C38H40N2O4/c1-19(2)9-11-23-29(43-7)15-13-27-31(23)25-17-21(5)37(41)33(35(25)39-27)34-36-26(18-22(6)38(34)42)32-24(12-10-20(3)4)30(44-8)16-14-28(32)40-36/h9-10,13-18,39-42H,11-12H2,1-8H3
InChIKeyXXJKCUFZEUPZBI-UHFFFAOYSA-N
XLogP9.69
TPSA90.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 59.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The IUPAC name of 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol (CID 102458128) is 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol.
What is the SMILES notation for 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The canonical SMILES for 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol is COc1ccc2[nH]c3c(-c4c(O)c(C)cc5c4[nH]c4ccc(OC)c(CC=C(C)C)c45)c(O)c(C)cc3c2c1CC=C(C)C.
What is the InChIKey of 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The InChIKey is XXJKCUFZEUPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O4/c1-19(2)9-11-23-29(43-7)15-13-27-31(23)25-17-21(5)37(41)33(35(25)39-27)34-36-26(18-22(6)38(34)42)32-24(12-10-20(3)4)30(44-8)16-14-28(32)40-36/h9-10,13-18,39-42H,11-12H2,1-8H3.
What are the key properties of 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol has a molecular weight of 588.75 g/mol, XLogP of 9.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol is sourced from PubChem (CID 102458128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).