1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol

C34H35F2N3O2 — CID 150085077

IUPAC1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C34H35F2N3O2/c1-34(2,3)37-18-24(40)21-41-25(19-38-30-10-6-4-8-26(30)28-16-22(35)12-14-32(28)38)20-39-31-11-7-5-9-27(31)29-17-23(36)13-15-33(29)39/h4-17,24-25,37,40H,18-21H2,1-3H3
InChIKeyDSBDHXHYJBERRD-UHFFFAOYSA-N
MW555.67 g/mol
LogP7.01
Rot. Bonds9

About 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol

1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol (PubChem CID 150085077) has the molecular formula C34H35F2N3O2 and a molecular weight of 555.67 g/mol. Its IUPAC name is 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol
PubChem CID150085077
Molecular FormulaC34H35F2N3O2
Molecular Weight555.67 g/mol
Exact Mass555.27
IUPAC Name1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C34H35F2N3O2/c1-34(2,3)37-18-24(40)21-41-25(19-38-30-10-6-4-8-26(30)28-16-22(35)12-14-32(28)38)20-39-31-11-7-5-9-27(31)29-17-23(36)13-15-33(29)39/h4-17,24-25,37,40H,18-21H2,1-3H3
InChIKeyDSBDHXHYJBERRD-UHFFFAOYSA-N
XLogP7.01
TPSA51.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.67
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol?
The IUPAC name of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol (CID 150085077) is 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol?
The canonical SMILES for 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol is CC(C)(C)NCC(O)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21.
What is the InChIKey of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol?
The InChIKey is DSBDHXHYJBERRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N3O2/c1-34(2,3)37-18-24(40)21-41-25(19-38-30-10-6-4-8-26(30)28-16-22(35)12-14-32(28)38)20-39-31-11-7-5-9-27(31)29-17-23(36)13-15-33(29)39/h4-17,24-25,37,40H,18-21H2,1-3H3.
What are the key properties of 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol?
1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol has a molecular weight of 555.67 g/mol, XLogP of 7.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 150085077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).