9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

C70H47N5 — CID 159443328

IUPAC9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C40H27N3.C30H20N2/c1-4-15-28(16-5-1)37-41-38(29-17-6-2-7-18-29)43-39(42-37)30-19-14-22-32(27-30)40(31-20-8-3-9-21-31)35-25-12-10-23-33(35)34-24-11-13-26-36(34)40;1-3-11-21(12-4-1)31-25-17-9-7-15-23(25)29-27(31)19-20-28-30(29)24-16-8-10-18-26(24)32(28)22-13-5-2-6-14-22/h1-27H;1-20H
InChIKeyLSLFFKXXROFNDM-UHFFFAOYSA-N
MW958.18 g/mol
LogP17.12
Rot. Bonds7

About 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 159443328) has the molecular formula C70H47N5 and a molecular weight of 958.18 g/mol. Its IUPAC name is 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
PubChem CID159443328
Molecular FormulaC70H47N5
Molecular Weight958.18 g/mol
Exact Mass957.38
IUPAC Name9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C40H27N3.C30H20N2/c1-4-15-28(16-5-1)37-41-38(29-17-6-2-7-18-29)43-39(42-37)30-19-14-22-32(27-30)40(31-20-8-3-9-21-31)35-25-12-10-23-33(35)34-24-11-13-26-36(34)40;1-3-11-21(12-4-1)31-25-17-9-7-15-23(25)29-27(31)19-20-28-30(29)24-16-8-10-18-26(24)32(28)22-13-5-2-6-14-22/h1-27H;1-20H
InChIKeyLSLFFKXXROFNDM-UHFFFAOYSA-N
XLogP17.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.18
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 162487538
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177145568
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296256
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
ethane;bis(23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene);9-phenyl-4-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 165012109
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]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
CID 139496806
9-[2'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-[7'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159219781
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296243

Frequently Asked Questions

What is the IUPAC name of 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 159443328) is 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1.
What is the InChIKey of 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is LSLFFKXXROFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3.C30H20N2/c1-4-15-28(16-5-1)37-41-38(29-17-6-2-7-18-29)43-39(42-37)30-19-14-22-32(27-30)40(31-20-8-3-9-21-31)35-25-12-10-23-33(35)34-24-11-13-26-36(34)40;1-3-11-21(12-4-1)31-25-17-9-7-15-23(25)29-27(31)19-20-28-30(29)24-16-8-10-18-26(24)32(28)22-13-5-2-6-14-22/h1-27H;1-20H.
What are the key properties of 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 958.18 g/mol, XLogP of 17.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-diphenyl-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;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159443328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).