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

C150H90N12 — CID 165004269

IUPAC23-[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
SMILESc1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/3C50H30N4/c3*1-3-15-32(16-4-1)47-51-48(50(33-18-5-2-6-19-33)40-26-11-9-22-36(40)37-23-10-12-27-41(37)50)53-49(52-47)54-42-28-14-25-39-35-21-8-7-20-34(35)38-24-13-17-31-29-30-43(54)46(44(31)38)45(39)42/h3*1-30H
InChIKeyISLFXQMNOVYZKE-UHFFFAOYSA-N
MW2060.45 g/mol
LogP35.40
Rot. Bonds12

About 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

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 (PubChem CID 165004269) has the molecular formula C150H90N12 and a molecular weight of 2060.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-[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
PubChem CID165004269
Molecular FormulaC150H90N12
Molecular Weight2060.45 g/mol
Exact Mass2058.74
IUPAC Name23-[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
SMILESc1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/3C50H30N4/c3*1-3-15-32(16-4-1)47-51-48(50(33-18-5-2-6-19-33)40-26-11-9-22-36(40)37-23-10-12-27-41(37)50)53-49(52-47)54-42-28-14-25-39-35-21-8-7-20-34(35)38-24-13-17-31-29-30-43(54)46(44(31)38)45(39)42/h3*1-30H
InChIKeyISLFXQMNOVYZKE-UHFFFAOYSA-N
XLogP35.40
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.45
LogP ≤ 535.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

23-[4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-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
CID 164821320
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
ethane;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;bis(2-phenyl-10-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole)
CID 165106269
bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164947241
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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
CID 146321372
2-(9-naphthalen-2-ylfluoren-9-yl)-4,6-diphenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine;12-[4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-1-[4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165003425
6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668131
6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668133
23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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
CID 139497776
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
CID 162770195
23-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-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
CID 167285408
23-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-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
CID 164764696

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 165004269) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is ISLFXQMNOVYZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H30N4/c3*1-3-15-32(16-4-1)47-51-48(50(33-18-5-2-6-19-33)40-26-11-9-22-36(40)37-23-10-12-27-41(37)50)53-49(52-47)54-42-28-14-25-39-35-21-8-7-20-34(35)38-24-13-17-31-29-30-43(54)46(44(31)38)45(39)42/h3*1-30H.
What are the key properties of 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?
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 has a molecular weight of 2060.45 g/mol, XLogP of 35.40, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165004269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).