14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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

C51H31N3O — CID 129123956

IUPAC14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c8ccccc8oc67)c5)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C51H31N3O/c1-2-11-32(12-3-1)33-23-27-36(28-24-33)51-53-45-19-8-5-17-42(45)48(54-51)35-25-21-34(22-26-35)37-13-10-14-38(31-37)49-43-30-29-40-39-15-6-9-20-46(39)55-50(40)47(43)41-16-4-7-18-44(41)52-49/h1-31H
InChIKeyPHVCKLUVSXUVTB-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 129123956) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 CID129123956
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c8ccccc8oc67)c5)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C51H31N3O/c1-2-11-32(12-3-1)33-23-27-36(28-24-33)51-53-45-19-8-5-17-42(45)48(54-51)35-25-21-34(22-26-35)37-13-10-14-38(31-37)49-43-30-29-40-39-15-6-9-20-46(39)55-50(40)47(43)41-16-4-7-18-44(41)52-49/h1-31H
InChIKeyPHVCKLUVSXUVTB-UHFFFAOYSA-N
XLogP13.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.57
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-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 129123956) is 14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c8ccccc8oc67)c5)cc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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 PHVCKLUVSXUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-2-11-32(12-3-1)33-23-27-36(28-24-33)51-53-45-19-8-5-17-42(45)48(54-51)35-25-21-34(22-26-35)37-13-10-14-38(31-37)49-43-30-29-40-39-15-6-9-20-46(39)55-50(40)47(43)41-16-4-7-18-44(41)52-49/h1-31H.
What are the key properties of 14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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-[2-(4-phenylphenyl)quinazolin-4-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 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-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 129123956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).