15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene

C58H36N4O2 — CID 145390326

IUPAC15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccc7c(c8cc9c(cc8n7-c7ccccc7)Oc7ccccc7O9)c65)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H36N4O2/c1-4-14-37(15-5-1)38-24-26-39(27-25-38)47-35-48(60-58(59-47)41-16-6-2-7-17-41)40-28-30-43(31-29-40)62-49-21-11-10-20-44(49)45-32-33-50-56(57(45)62)46-34-54-55(64-53-23-13-12-22-52(53)63-54)36-51(46)61(50)42-18-8-3-9-19-42/h1-36H
InChIKeySWUHPHRPWBJUPP-UHFFFAOYSA-N
MW820.95 g/mol
LogP15.24
Rot. Bonds6

About 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene

15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene (PubChem CID 145390326) has the molecular formula C58H36N4O2 and a molecular weight of 820.95 g/mol. Its IUPAC name is 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene.

Molecular Properties

Compound Name15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
PubChem CID145390326
Molecular FormulaC58H36N4O2
Molecular Weight820.95 g/mol
Exact Mass820.28
IUPAC Name15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccc7c(c8cc9c(cc8n7-c7ccccc7)Oc7ccccc7O9)c65)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H36N4O2/c1-4-14-37(15-5-1)38-24-26-39(27-25-38)47-35-48(60-58(59-47)41-16-6-2-7-17-41)40-28-30-43(31-29-40)62-49-21-11-10-20-44(49)45-32-33-50-56(57(45)62)46-34-54-55(64-53-23-13-12-22-52(53)63-54)36-51(46)61(50)42-18-8-3-9-19-42/h1-36H
InChIKeySWUHPHRPWBJUPP-UHFFFAOYSA-N
XLogP15.24
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.95
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
The IUPAC name of 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene (CID 145390326) is 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene.
What is the SMILES notation for 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
The canonical SMILES for 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene is c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccc7c(c8cc9c(cc8n7-c7ccccc7)Oc7ccccc7O9)c65)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
The InChIKey is SWUHPHRPWBJUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2/c1-4-14-37(15-5-1)38-24-26-39(27-25-38)47-35-48(60-58(59-47)41-16-6-2-7-17-41)40-28-30-43(31-29-40)62-49-21-11-10-20-44(49)45-32-33-50-56(57(45)62)46-34-54-55(64-53-23-13-12-22-52(53)63-54)36-51(46)61(50)42-18-8-3-9-19-42/h1-36H.
What are the key properties of 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene?
15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene has a molecular weight of 820.95 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-19,26-dioxa-4,15-diazaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene is sourced from PubChem (CID 145390326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).