14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C55H33N3O — CID 129123957

IUPAC14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1cc(-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1
InChIInChI=1S/C55H33N3O/c1-3-18-40-35(12-1)14-10-22-42(40)49-33-50(43-23-11-15-36-13-2-4-19-41(36)43)58-55(57-49)37-28-26-34(27-29-37)38-16-9-17-39(32-38)53-47-31-30-45-44-20-6-8-25-51(44)59-54(45)52(47)46-21-5-7-24-48(46)56-53/h1-33H
InChIKeyCMZGOKDIWOUFJT-UHFFFAOYSA-N
MW751.89 g/mol
LogP14.72
Rot. Bonds5

About 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 129123957) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
PubChem CID129123957
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1cc(-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1
InChIInChI=1S/C55H33N3O/c1-3-18-40-35(12-1)14-10-22-42(40)49-33-50(43-23-11-15-36-13-2-4-19-41(36)43)58-55(57-49)37-28-26-34(27-29-37)38-16-9-17-39(32-38)53-47-31-30-45-44-20-6-8-25-51(44)59-54(45)52(47)46-21-5-7-24-48(46)56-53/h1-33H
InChIKeyCMZGOKDIWOUFJT-UHFFFAOYSA-N
XLogP14.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene 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 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 129123957) is 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1cc(-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.
What is the InChIKey of 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The InChIKey is CMZGOKDIWOUFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-3-18-40-35(12-1)14-10-22-42(40)49-33-50(43-23-11-15-36-13-2-4-19-41(36)43)58-55(57-49)37-28-26-34(27-29-37)38-16-9-17-39(32-38)53-47-31-30-45-44-20-6-8-25-51(44)59-54(45)52(47)46-21-5-7-24-48(46)56-53/h1-33H.
What are the key properties of 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 751.89 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 129123957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).