1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol

C23H22Br2N2O2 — CID 46851385

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol
SMILESCOc1cccc(N(C)CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C23H22Br2N2O2/c1-26(17-4-3-5-19(12-17)29-2)13-18(28)14-27-22-8-6-15(24)10-20(22)21-11-16(25)7-9-23(21)27/h3-12,18,28H,13-14H2,1-2H3
InChIKeyJTAMOOIVQBHINJ-UHFFFAOYSA-N
MW518.25 g/mol
LogP5.83
Rot. Bonds6

About 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol (PubChem CID 46851385) has the molecular formula C23H22Br2N2O2 and a molecular weight of 518.25 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol
PubChem CID46851385
Molecular FormulaC23H22Br2N2O2
Molecular Weight518.25 g/mol
Exact Mass516.00
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol
SMILESCOc1cccc(N(C)CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C23H22Br2N2O2/c1-26(17-4-3-5-19(12-17)29-2)13-18(28)14-27-22-8-6-15(24)10-20(22)21-11-16(25)7-9-23(21)27/h3-12,18,28H,13-14H2,1-2H3
InChIKeyJTAMOOIVQBHINJ-UHFFFAOYSA-N
XLogP5.83
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol (CID 46851385) is 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol is COc1cccc(N(C)CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol?
The InChIKey is JTAMOOIVQBHINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2O2/c1-26(17-4-3-5-19(12-17)29-2)13-18(28)14-27-22-8-6-15(24)10-20(22)21-11-16(25)7-9-23(21)27/h3-12,18,28H,13-14H2,1-2H3.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol has a molecular weight of 518.25 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol is sourced from PubChem (CID 46851385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).