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

C41H33N3O3 — CID 122194969

IUPAC3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole
SMILESCOn1c2ccccc2c2cc(COCc3ccc4c(c3)c3ccccc3n4Cc3ccc4c(c3)c3ccccc3n4OC)ccc21
InChIInChI=1S/C41H33N3O3/c1-45-43-38-13-7-4-10-31(38)34-21-27(15-19-40(34)43)24-42-36-12-6-3-9-30(36)33-22-28(16-18-37(33)42)25-47-26-29-17-20-41-35(23-29)32-11-5-8-14-39(32)44(41)46-2/h3-23H,24-26H2,1-2H3
InChIKeyPROBSTZXQUASOB-UHFFFAOYSA-N
MW615.73 g/mol
LogP8.89
Rot. Bonds8

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

3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole (PubChem CID 122194969) has the molecular formula C41H33N3O3 and a molecular weight of 615.73 g/mol. Its IUPAC name is 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole.

Molecular Properties

Compound Name3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole
PubChem CID122194969
Molecular FormulaC41H33N3O3
Molecular Weight615.73 g/mol
Exact Mass615.25
IUPAC Name3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole
SMILESCOn1c2ccccc2c2cc(COCc3ccc4c(c3)c3ccccc3n4Cc3ccc4c(c3)c3ccccc3n4OC)ccc21
InChIInChI=1S/C41H33N3O3/c1-45-43-38-13-7-4-10-31(38)34-21-27(15-19-40(34)43)24-42-36-12-6-3-9-30(36)33-22-28(16-18-37(33)42)25-47-26-29-17-20-41-35(23-29)32-11-5-8-14-39(32)44(41)46-2/h3-23H,24-26H2,1-2H3
InChIKeyPROBSTZXQUASOB-UHFFFAOYSA-N
XLogP8.89
TPSA42.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.73
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole?
The IUPAC name of 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole (CID 122194969) is 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole.
What is the SMILES notation for 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole?
The canonical SMILES for 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole is COn1c2ccccc2c2cc(COCc3ccc4c(c3)c3ccccc3n4Cc3ccc4c(c3)c3ccccc3n4OC)ccc21.
What is the InChIKey of 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole?
The InChIKey is PROBSTZXQUASOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N3O3/c1-45-43-38-13-7-4-10-31(38)34-21-27(15-19-40(34)43)24-42-36-12-6-3-9-30(36)33-22-28(16-18-37(33)42)25-47-26-29-17-20-41-35(23-29)32-11-5-8-14-39(32)44(41)46-2/h3-23H,24-26H2,1-2H3.
What are the key properties of 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole?
3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole has a molecular weight of 615.73 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9-methoxycarbazol-3-yl)methoxymethyl]-9-[(9-methoxycarbazol-3-yl)methyl]carbazole is sourced from PubChem (CID 122194969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).