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

C28H24N2O3 — CID 11517735

IUPAC9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole
SMILESCOn1c2ccccc2c2cc(COCc3ccc4c(c3)c3ccccc3n4OC)ccc21
InChIInChI=1S/C28H24N2O3/c1-31-29-25-9-5-3-7-21(25)23-15-19(11-13-27(23)29)17-33-18-20-12-14-28-24(16-20)22-8-4-6-10-26(22)30(28)32-2/h3-16H,17-18H2,1-2H3
InChIKeyJLGCQABQKBSNCS-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.74
Rot. Bonds6

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

9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole (PubChem CID 11517735) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole.

Molecular Properties

Compound Name9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole
PubChem CID11517735
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole
SMILESCOn1c2ccccc2c2cc(COCc3ccc4c(c3)c3ccccc3n4OC)ccc21
InChIInChI=1S/C28H24N2O3/c1-31-29-25-9-5-3-7-21(25)23-15-19(11-13-27(23)29)17-33-18-20-12-14-28-24(16-20)22-8-4-6-10-26(22)30(28)32-2/h3-16H,17-18H2,1-2H3
InChIKeyJLGCQABQKBSNCS-UHFFFAOYSA-N
XLogP5.74
TPSA37.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole?
The IUPAC name of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole (CID 11517735) is 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole.
What is the SMILES notation for 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole?
The canonical SMILES for 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole is COn1c2ccccc2c2cc(COCc3ccc4c(c3)c3ccccc3n4OC)ccc21.
What is the InChIKey of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole?
The InChIKey is JLGCQABQKBSNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-31-29-25-9-5-3-7-21(25)23-15-19(11-13-27(23)29)17-33-18-20-12-14-28-24(16-20)22-8-4-6-10-26(22)30(28)32-2/h3-16H,17-18H2,1-2H3.
What are the key properties of 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole?
9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole has a molecular weight of 436.51 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-[(9-methoxycarbazol-3-yl)methoxymethyl]carbazole is sourced from PubChem (CID 11517735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).