1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol

C18H20Br2N2O — CID 4047337

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C18H20Br2N2O/c1-11(2)21-9-14(23)10-22-17-5-3-12(19)7-15(17)16-8-13(20)4-6-18(16)22/h3-8,11,14,21,23H,9-10H2,1-2H3
InChIKeySSUUCJHSTMIBDY-UHFFFAOYSA-N
MW440.18 g/mol
LogP4.68
Rot. Bonds5

About 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 4047337) has the molecular formula C18H20Br2N2O and a molecular weight of 440.18 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID4047337
Molecular FormulaC18H20Br2N2O
Molecular Weight440.18 g/mol
Exact Mass437.99
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C18H20Br2N2O/c1-11(2)21-9-14(23)10-22-17-5-3-12(19)7-15(17)16-8-13(20)4-6-18(16)22/h3-8,11,14,21,23H,9-10H2,1-2H3
InChIKeySSUUCJHSTMIBDY-UHFFFAOYSA-N
XLogP4.68
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.18
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol (CID 4047337) is 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SSUUCJHSTMIBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N2O/c1-11(2)21-9-14(23)10-22-17-5-3-12(19)7-15(17)16-8-13(20)4-6-18(16)22/h3-8,11,14,21,23H,9-10H2,1-2H3.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 440.18 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 4047337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).