5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene

C50H30N4O2 — CID 134560008

IUPAC5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2ccc3c(c2)Oc2cc4c5ccccc5n(-c5cc(-c6ccccc6)c6cccnc6n5)c4c4c2N3c2ccc(-c3ccccc3)cc2O4)cc1
InChIInChI=1S/C50H30N4O2/c1-4-13-31(14-5-1)34-22-24-41-43(27-34)55-45-29-39-36-19-10-11-21-40(36)54(46-30-38(33-17-8-3-9-18-33)37-20-12-26-51-50(37)52-46)47(39)49-48(45)53(41)42-25-23-35(28-44(42)56-49)32-15-6-2-7-16-32/h1-30H
InChIKeyPWDSNJYSWIXGBP-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.41
Rot. Bonds4

About 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene

5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene (PubChem CID 134560008) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene
PubChem CID134560008
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2ccc3c(c2)Oc2cc4c5ccccc5n(-c5cc(-c6ccccc6)c6cccnc6n5)c4c4c2N3c2ccc(-c3ccccc3)cc2O4)cc1
InChIInChI=1S/C50H30N4O2/c1-4-13-31(14-5-1)34-22-24-41-43(27-34)55-45-29-39-36-19-10-11-21-40(36)54(46-30-38(33-17-8-3-9-18-33)37-20-12-26-51-50(37)52-46)47(39)49-48(45)53(41)42-25-23-35(28-44(42)56-49)32-15-6-2-7-16-32/h1-30H
InChIKeyPWDSNJYSWIXGBP-UHFFFAOYSA-N
XLogP13.41
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

19-(3-phenylphenyl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 134560221
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 147959771
19-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 155419303
19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 134560065
10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
CID 140898462
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
25-(3-phenylphenyl)-21-[9-(3-phenylphenyl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 142357461
15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 129289172
11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;methane
CID 162033819
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 90335790
3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
CID 134475762
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798

Frequently Asked Questions

What is the IUPAC name of 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
The IUPAC name of 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene (CID 134560008) is 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene.
What is the SMILES notation for 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
The canonical SMILES for 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene is c1ccc(-c2ccc3c(c2)Oc2cc4c5ccccc5n(-c5cc(-c6ccccc6)c6cccnc6n5)c4c4c2N3c2ccc(-c3ccccc3)cc2O4)cc1.
What is the InChIKey of 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
The InChIKey is PWDSNJYSWIXGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-4-13-31(14-5-1)34-22-24-41-43(27-34)55-45-29-39-36-19-10-11-21-40(36)54(46-30-38(33-17-8-3-9-18-33)37-20-12-26-51-50(37)52-46)47(39)49-48(45)53(41)42-25-23-35(28-44(42)56-49)32-15-6-2-7-16-32/h1-30H.
What are the key properties of 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene?
5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene has a molecular weight of 718.82 g/mol, XLogP of 13.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-diphenyl-19-(4-phenyl-1,8-naphthyridin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene is sourced from PubChem (CID 134560008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).