(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol

C24H24Br2N2O — CID 51861099

IUPAC(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1ccc(NC[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C24H24Br2N2O/c1-15(2)16-3-7-19(8-4-16)27-13-20(29)14-28-23-9-5-17(25)11-21(23)22-12-18(26)6-10-24(22)28/h3-12,15,20,27,29H,13-14H2,1-2H3/t20-/m0/s1
InChIKeyLZRCHGHIHKZMGU-FQEVSTJZSA-N
MW516.28 g/mol
LogP6.92
Rot. Bonds6

About (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol (PubChem CID 51861099) has the molecular formula C24H24Br2N2O and a molecular weight of 516.28 g/mol. Its IUPAC name is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
PubChem CID51861099
Molecular FormulaC24H24Br2N2O
Molecular Weight516.28 g/mol
Exact Mass514.03
IUPAC Name(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1ccc(NC[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C24H24Br2N2O/c1-15(2)16-3-7-19(8-4-16)27-13-20(29)14-28-23-9-5-17(25)11-21(23)22-12-18(26)6-10-24(22)28/h3-12,15,20,27,29H,13-14H2,1-2H3/t20-/m0/s1
InChIKeyLZRCHGHIHKZMGU-FQEVSTJZSA-N
XLogP6.92
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.28
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol?
The IUPAC name of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol (CID 51861099) is (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol.
What is the SMILES notation for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol?
The canonical SMILES for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol is CC(C)c1ccc(NC[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.
What is the InChIKey of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol?
The InChIKey is LZRCHGHIHKZMGU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24Br2N2O/c1-15(2)16-3-7-19(8-4-16)27-13-20(29)14-28-23-9-5-17(25)11-21(23)22-12-18(26)6-10-24(22)28/h3-12,15,20,27,29H,13-14H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol?
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol has a molecular weight of 516.28 g/mol, XLogP of 6.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol is sourced from PubChem (CID 51861099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).