9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole

C42H35N3O4 — CID 122194968

IUPAC9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole
SMILESCOn1c2ccccc2c2cc(COCc3ccc4c(c3)c3cc(Cc5ccc6c(c5)c5ccccc5n6OC)ccc3n4OC)ccc21
InChIInChI=1S/C42H35N3O4/c1-46-43-37-10-6-4-8-31(37)33-21-27(12-16-39(33)43)20-28-13-17-41-35(22-28)36-24-30(15-19-42(36)45(41)48-3)26-49-25-29-14-18-40-34(23-29)32-9-5-7-11-38(32)44(40)47-2/h4-19,21-24H,20,25-26H2,1-3H3
InChIKeyWMSZEDYUZLSNEN-UHFFFAOYSA-N
MW645.76 g/mol
LogP8.49
Rot. Bonds9

About 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole

9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole (PubChem CID 122194968) has the molecular formula C42H35N3O4 and a molecular weight of 645.76 g/mol. Its IUPAC name is 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole.

Molecular Properties

Compound Name9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole
PubChem CID122194968
Molecular FormulaC42H35N3O4
Molecular Weight645.76 g/mol
Exact Mass645.26
IUPAC Name9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole
SMILESCOn1c2ccccc2c2cc(COCc3ccc4c(c3)c3cc(Cc5ccc6c(c5)c5ccccc5n6OC)ccc3n4OC)ccc21
InChIInChI=1S/C42H35N3O4/c1-46-43-37-10-6-4-8-31(37)33-21-27(12-16-39(33)43)20-28-13-17-41-35(22-28)36-24-30(15-19-42(36)45(41)48-3)26-49-25-29-14-18-40-34(23-29)32-9-5-7-11-38(32)44(40)47-2/h4-19,21-24H,20,25-26H2,1-3H3
InChIKeyWMSZEDYUZLSNEN-UHFFFAOYSA-N
XLogP8.49
TPSA51.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.76
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole?
The IUPAC name of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole (CID 122194968) is 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole.
What is the SMILES notation for 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole?
The canonical SMILES for 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole is COn1c2ccccc2c2cc(COCc3ccc4c(c3)c3cc(Cc5ccc6c(c5)c5ccccc5n6OC)ccc3n4OC)ccc21.
What is the InChIKey of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole?
The InChIKey is WMSZEDYUZLSNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3O4/c1-46-43-37-10-6-4-8-31(37)33-21-27(12-16-39(33)43)20-28-13-17-41-35(22-28)36-24-30(15-19-42(36)45(41)48-3)26-49-25-29-14-18-40-34(23-29)32-9-5-7-11-38(32)44(40)47-2/h4-19,21-24H,20,25-26H2,1-3H3.
What are the key properties of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole?
9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole has a molecular weight of 645.76 g/mol, XLogP of 8.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]-6-[(9-methoxycarbazol-3-yl)methyl]carbazole is sourced from PubChem (CID 122194968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).