15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

C102H60N8O2S2 — CID 159046760

IUPAC15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6c7ccccc7oc6c5c5c6oc7ccccc7c6ccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6c7ccccc7sc6c5c5c6sc7ccccc7c6ccc54)n3)cc2)cc1
InChIInChI=1S/C51H30N4O2.C51H30N4S2/c2*1-3-11-31(12-4-1)33-19-23-35(24-20-33)49-52-50(36-25-21-34(22-26-36)32-13-5-2-6-14-32)54-51(53-49)55-41-29-27-39-37-15-7-9-17-43(37)56-47(39)45(41)46-42(55)30-28-40-38-16-8-10-18-44(38)57-48(40)46/h2*1-30H
InChIKeyJWTHJKQXBGNCDX-UHFFFAOYSA-N
MW1493.79 g/mol
LogP27.81
Rot. Bonds10

About 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (PubChem CID 159046760) has the molecular formula C102H60N8O2S2 and a molecular weight of 1493.79 g/mol. Its IUPAC name is 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

Compound Name15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
PubChem CID159046760
Molecular FormulaC102H60N8O2S2
Molecular Weight1493.79 g/mol
Exact Mass1492.43
IUPAC Name15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6c7ccccc7oc6c5c5c6oc7ccccc7c6ccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6c7ccccc7sc6c5c5c6sc7ccccc7c6ccc54)n3)cc2)cc1
InChIInChI=1S/C51H30N4O2.C51H30N4S2/c2*1-3-11-31(12-4-1)33-19-23-35(24-20-33)49-52-50(36-25-21-34(22-26-36)32-13-5-2-6-14-32)54-51(53-49)55-41-29-27-39-37-15-7-9-17-43(37)56-47(39)45(41)46-42(55)30-28-40-38-16-8-10-18-44(38)57-48(40)46/h2*1-30H
InChIKeyJWTHJKQXBGNCDX-UHFFFAOYSA-N
XLogP27.81
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001493.79
LogP ≤ 527.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene with MolForge

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Related Compounds

5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 159520742
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
CID 161097020
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-3-phenyl-[1]benzofuro[3,2-c]carbazole
CID 130265291
15-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 118243020
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163544939
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine
CID 158855685
5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenyl]carbazole
CID 160601837
9-[4-(5-carbazol-9-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole
CID 158164739
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 90085630
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146
5-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 122634800

Frequently Asked Questions

What is the IUPAC name of 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The IUPAC name of 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (CID 159046760) is 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.
What is the SMILES notation for 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The canonical SMILES for 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6c7ccccc7oc6c5c5c6oc7ccccc7c6ccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6c7ccccc7sc6c5c5c6sc7ccccc7c6ccc54)n3)cc2)cc1.
What is the InChIKey of 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The InChIKey is JWTHJKQXBGNCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2.C51H30N4S2/c2*1-3-11-31(12-4-1)33-19-23-35(24-20-33)49-52-50(36-25-21-34(22-26-36)32-13-5-2-6-14-32)54-51(53-49)55-41-29-27-39-37-15-7-9-17-43(37)56-47(39)45(41)46-42(55)30-28-40-38-16-8-10-18-44(38)57-48(40)46/h2*1-30H.
What are the key properties of 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene has a molecular weight of 1493.79 g/mol, XLogP of 27.81, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 159046760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).