2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol

C51H40N4O4 — CID 58705189

IUPAC2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol
SMILESC[C@@H](C[C@H](C)Oc1ccccc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1O)Oc1ccccc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C51H40N4O4/c1-32(58-46-25-13-7-19-38(46)40-27-29-52-50(48(40)56)54-42-21-9-3-15-34(42)35-16-4-10-22-43(35)54)31-33(2)59-47-26-14-8-20-39(47)41-28-30-53-51(49(41)57)55-44-23-11-5-17-36(44)37-18-6-12-24-45(37)55/h3-30,32-33,56-57H,31H2,1-2H3/t32-,33-/m0/s1
InChIKeyPARFRZJGIRFDQJ-LQJZCPKCSA-N
MW772.91 g/mol
LogP12.04
Rot. Bonds10

About 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol

2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol (PubChem CID 58705189) has the molecular formula C51H40N4O4 and a molecular weight of 772.91 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol.

Molecular Properties

Compound Name2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol
PubChem CID58705189
Molecular FormulaC51H40N4O4
Molecular Weight772.91 g/mol
Exact Mass772.30
IUPAC Name2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol
SMILESC[C@@H](C[C@H](C)Oc1ccccc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1O)Oc1ccccc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C51H40N4O4/c1-32(58-46-25-13-7-19-38(46)40-27-29-52-50(48(40)56)54-42-21-9-3-15-34(42)35-16-4-10-22-43(35)54)31-33(2)59-47-26-14-8-20-39(47)41-28-30-53-51(49(41)57)55-44-23-11-5-17-36(44)37-18-6-12-24-45(37)55/h3-30,32-33,56-57H,31H2,1-2H3/t32-,33-/m0/s1
InChIKeyPARFRZJGIRFDQJ-LQJZCPKCSA-N
XLogP12.04
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.91
LogP ≤ 512.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol?
The IUPAC name of 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol (CID 58705189) is 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol.
What is the SMILES notation for 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol?
The canonical SMILES for 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol is C[C@@H](C[C@H](C)Oc1ccccc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1O)Oc1ccccc1-c1ccnc(-n2c3ccccc3c3ccccc32)c1O.
What is the InChIKey of 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol?
The InChIKey is PARFRZJGIRFDQJ-LQJZCPKCSA-N. The full InChI is InChI=1S/C51H40N4O4/c1-32(58-46-25-13-7-19-38(46)40-27-29-52-50(48(40)56)54-42-21-9-3-15-34(42)35-16-4-10-22-43(35)54)31-33(2)59-47-26-14-8-20-39(47)41-28-30-53-51(49(41)57)55-44-23-11-5-17-36(44)37-18-6-12-24-45(37)55/h3-30,32-33,56-57H,31H2,1-2H3/t32-,33-/m0/s1.
What are the key properties of 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol?
2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol has a molecular weight of 772.91 g/mol, XLogP of 12.04, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol is sourced from PubChem (CID 58705189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).