1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol

C33H35N3O2 — CID 3713657

IUPAC1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3
InChIKeyBLTONWSCODZCNA-UHFFFAOYSA-N
MW505.66 g/mol
LogP6.35
Rot. Bonds10

About 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol

1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3713657) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID3713657
Molecular FormulaC33H35N3O2
Molecular Weight505.66 g/mol
Exact Mass505.27
IUPAC Name1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3
InChIKeyBLTONWSCODZCNA-UHFFFAOYSA-N
XLogP6.35
TPSA51.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol (CID 3713657) is 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is BLTONWSCODZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3.
What are the key properties of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol?
1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 505.66 g/mol, XLogP of 6.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3713657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).