6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol

C80H46F6N2O4 — CID 129180790

IUPAC6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol
SMILESOc1c(-c2ccnc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2cc(-c3ccc4c(c3)cc(-c3cc5ccccc5c(-c5c(O)c(-c6cc7ccccc7c7ccccc67)cc6ccccc56)c3O)c3ccccc34)ccc12
InChIInChI=1S/C80H46F6N2O4/c81-79(82,83)69-41-49(29-31-87-69)63-35-46-14-2-6-18-55(46)71(75(63)89)74-58-28-26-44(34-52(58)39-64(76(74)90)50-30-32-88-70(42-50)80(84,85)86)43-25-27-54-51(33-43)40-66(62-24-12-10-22-60(54)62)68-38-48-16-4-8-20-57(48)73(78(68)92)72-56-19-7-3-15-47(56)37-67(77(72)91)65-36-45-13-1-5-17-53(45)59-21-9-11-23-61(59)65/h1-42,89-92H
InChIKeyRCNGOFTTXBTJDM-UHFFFAOYSA-N
MW1213.25 g/mol
LogP22.23
Rot. Bonds7

About 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol

6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol (PubChem CID 129180790) has the molecular formula C80H46F6N2O4 and a molecular weight of 1213.25 g/mol. Its IUPAC name is 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol
PubChem CID129180790
Molecular FormulaC80H46F6N2O4
Molecular Weight1213.25 g/mol
Exact Mass1212.34
IUPAC Name6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol
SMILESOc1c(-c2ccnc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2cc(-c3ccc4c(c3)cc(-c3cc5ccccc5c(-c5c(O)c(-c6cc7ccccc7c7ccccc67)cc6ccccc56)c3O)c3ccccc34)ccc12
InChIInChI=1S/C80H46F6N2O4/c81-79(82,83)69-41-49(29-31-87-69)63-35-46-14-2-6-18-55(46)71(75(63)89)74-58-28-26-44(34-52(58)39-64(76(74)90)50-30-32-88-70(42-50)80(84,85)86)43-25-27-54-51(33-43)40-66(62-24-12-10-22-60(54)62)68-38-48-16-4-8-20-57(48)73(78(68)92)72-56-19-7-3-15-47(56)37-67(77(72)91)65-36-45-13-1-5-17-53(45)59-21-9-11-23-61(59)65/h1-42,89-92H
InChIKeyRCNGOFTTXBTJDM-UHFFFAOYSA-N
XLogP22.23
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.25
LogP ≤ 522.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
The IUPAC name of 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol (CID 129180790) is 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol.
What is the SMILES notation for 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
The canonical SMILES for 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol is Oc1c(-c2ccnc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2cc(-c3ccc4c(c3)cc(-c3cc5ccccc5c(-c5c(O)c(-c6cc7ccccc7c7ccccc67)cc6ccccc56)c3O)c3ccccc34)ccc12.
What is the InChIKey of 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
The InChIKey is RCNGOFTTXBTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H46F6N2O4/c81-79(82,83)69-41-49(29-31-87-69)63-35-46-14-2-6-18-55(46)71(75(63)89)74-58-28-26-44(34-52(58)39-64(76(74)90)50-30-32-88-70(42-50)80(84,85)86)43-25-27-54-51(33-43)40-66(62-24-12-10-22-60(54)62)68-38-48-16-4-8-20-57(48)73(78(68)92)72-56-19-7-3-15-47(56)37-67(77(72)91)65-36-45-13-1-5-17-53(45)59-21-9-11-23-61(59)65/h1-42,89-92H.
What are the key properties of 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol has a molecular weight of 1213.25 g/mol, XLogP of 22.23, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[3-hydroxy-4-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)naphthalen-2-yl]phenanthren-2-yl]-1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol is sourced from PubChem (CID 129180790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).