1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol

C66H58FN5O4 — CID 5166777

IUPAC1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol
SMILESOC(COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)CN(CC(O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C66H58FN5O4/c67-45-33-35-46(36-34-45)68(37-47(73)43-75-49(39-69-59-25-9-1-17-51(59)52-18-2-10-26-60(52)69)40-70-61-27-11-3-19-53(61)54-20-4-12-28-62(54)70)38-48(74)44-76-50(41-71-63-29-13-5-21-55(63)56-22-6-14-30-64(56)71)42-72-65-31-15-7-23-57(65)58-24-8-16-32-66(58)72/h1-36,47-50,73-74H,37-44H2
InChIKeyNCIDBRJFZZMCCK-UHFFFAOYSA-N
MW1004.22 g/mol
LogP13.36
Rot. Bonds19

About 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol

1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol (PubChem CID 5166777) has the molecular formula C66H58FN5O4 and a molecular weight of 1004.22 g/mol. Its IUPAC name is 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol
PubChem CID5166777
Molecular FormulaC66H58FN5O4
Molecular Weight1004.22 g/mol
Exact Mass1003.45
IUPAC Name1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol
SMILESOC(COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)CN(CC(O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C66H58FN5O4/c67-45-33-35-46(36-34-45)68(37-47(73)43-75-49(39-69-59-25-9-1-17-51(59)52-18-2-10-26-60(52)69)40-70-61-27-11-3-19-53(61)54-20-4-12-28-62(54)70)38-48(74)44-76-50(41-71-63-29-13-5-21-55(63)56-22-6-14-30-64(56)71)42-72-65-31-15-7-23-57(65)58-24-8-16-32-66(58)72/h1-36,47-50,73-74H,37-44H2
InChIKeyNCIDBRJFZZMCCK-UHFFFAOYSA-N
XLogP13.36
TPSA81.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.22
LogP ≤ 513.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-di(9H-carbazol-9-yl)propan-2-ol
CID 1898613
1-[1,3-Di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 3713657
1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide
CID 164626402
1-Carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 2729022
(2S)-1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 9511208
(2R)-1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 9511211
1,4-Di(carbazol-9-yl)butane-2,3-diol
CID 70688511
1,4-di(9H-carbazol-9-yl)butan-2-ol
CID 70692714
1-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride
CID 171343793
1-(2-ethyl-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride
CID 171353678
1-[(2R)-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide
CID 177381333
9-{2-[2-(6-Fluoro-1,2,3,4-tetrahydro-9h-carbazol-9-yl)ethoxy]ethyl}-9h-carbazole
CID 177924020

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol?
The IUPAC name of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol (CID 5166777) is 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol is OC(COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)CN(CC(O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol?
The InChIKey is NCIDBRJFZZMCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58FN5O4/c67-45-33-35-46(36-34-45)68(37-47(73)43-75-49(39-69-59-25-9-1-17-51(59)52-18-2-10-26-60(52)69)40-70-61-27-11-3-19-53(61)54-20-4-12-28-62(54)70)38-48(74)44-76-50(41-71-63-29-13-5-21-55(63)56-22-6-14-30-64(56)71)42-72-65-31-15-7-23-57(65)58-24-8-16-32-66(58)72/h1-36,47-50,73-74H,37-44H2.
What are the key properties of 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol?
1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol has a molecular weight of 1004.22 g/mol, XLogP of 13.36, 19 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(N-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-4-fluoroanilino)propan-2-ol is sourced from PubChem (CID 5166777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).