25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene

C39H23N5O2 — CID 134559904

IUPAC25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6c(cc43)Oc3ccccc3N6c3ccccc3O5)n2)cc1
InChIInChI=1S/C39H23N5O2/c1-3-13-24(14-4-1)37-40-38(25-15-5-2-6-16-25)42-39(41-37)44-27-18-8-7-17-26(27)34-30(44)23-33-35-36(34)46-32-22-12-10-20-29(32)43(35)28-19-9-11-21-31(28)45-33/h1-23H
InChIKeyMQFKMEDTNGKCCM-UHFFFAOYSA-N
MW593.65 g/mol
LogP9.98
Rot. Bonds3

About 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene

25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene (PubChem CID 134559904) has the molecular formula C39H23N5O2 and a molecular weight of 593.65 g/mol. Its IUPAC name is 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene.

Molecular Properties

Compound Name25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene
PubChem CID134559904
Molecular FormulaC39H23N5O2
Molecular Weight593.65 g/mol
Exact Mass593.19
IUPAC Name25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6c(cc43)Oc3ccccc3N6c3ccccc3O5)n2)cc1
InChIInChI=1S/C39H23N5O2/c1-3-13-24(14-4-1)37-40-38(25-15-5-2-6-16-25)42-39(41-37)44-27-18-8-7-17-26(27)34-30(44)23-33-35-36(34)46-32-22-12-10-20-29(32)43(35)28-19-9-11-21-31(28)45-33/h1-23H
InChIKeyMQFKMEDTNGKCCM-UHFFFAOYSA-N
XLogP9.98
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.65
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene with MolForge

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Related Compounds

25-phenyl-21-[9-(4-phenylquinazolin-2-yl)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 134559982
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
21-carbazol-9-yl-25-phenyl-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 134559977
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
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
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 142461178
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene
CID 142461097
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
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
(4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene
CID 155419405
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
[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 153495105

Frequently Asked Questions

What is the IUPAC name of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene?
The IUPAC name of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene (CID 134559904) is 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene.
What is the SMILES notation for 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene?
The canonical SMILES for 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6c(cc43)Oc3ccccc3N6c3ccccc3O5)n2)cc1.
What is the InChIKey of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene?
The InChIKey is MQFKMEDTNGKCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5O2/c1-3-13-24(14-4-1)37-40-38(25-15-5-2-6-16-25)42-39(41-37)44-27-18-8-7-17-26(27)34-30(44)23-33-35-36(34)46-32-22-12-10-20-29(32)43(35)28-19-9-11-21-31(28)45-33/h1-23H.
What are the key properties of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene?
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene has a molecular weight of 593.65 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene is sourced from PubChem (CID 134559904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).