3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

C51H30F9N3 — CID 102106377

IUPAC3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESFC(F)(F)c1ccc(-c2cc3c(c4cc(-c5ccc(C(F)(F)F)cc5)n(-c5ccccc5)c4c4cc(-c5ccc(C(F)(F)F)cc5)n(-c5ccccc5)c34)n2-c2ccccc2)cc1
InChIInChI=1S/C51H30F9N3/c52-49(53,54)34-22-16-31(17-23-34)43-28-40-46(61(43)37-10-4-1-5-11-37)41-29-44(32-18-24-35(25-19-32)50(55,56)57)62(38-12-6-2-7-13-38)48(41)42-30-45(33-20-26-36(27-21-33)51(58,59)60)63(47(40)42)39-14-8-3-9-15-39/h1-30H
InChIKeyWOTSJHCRLDWDQF-UHFFFAOYSA-N
MW855.80 g/mol
LogP15.58
Rot. Bonds6

About 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene

3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (PubChem CID 102106377) has the molecular formula C51H30F9N3 and a molecular weight of 855.80 g/mol. Its IUPAC name is 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.

Molecular Properties

Compound Name3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
PubChem CID102106377
Molecular FormulaC51H30F9N3
Molecular Weight855.80 g/mol
Exact Mass855.23
IUPAC Name3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
SMILESFC(F)(F)c1ccc(-c2cc3c(c4cc(-c5ccc(C(F)(F)F)cc5)n(-c5ccccc5)c4c4cc(-c5ccc(C(F)(F)F)cc5)n(-c5ccccc5)c34)n2-c2ccccc2)cc1
InChIInChI=1S/C51H30F9N3/c52-49(53,54)34-22-16-31(17-23-34)43-28-40-46(61(43)37-10-4-1-5-11-37)41-29-44(32-18-24-35(25-19-32)50(55,56)57)62(38-12-6-2-7-13-38)48(41)42-30-45(33-20-26-36(27-21-33)51(58,59)60)63(47(40)42)39-14-8-3-9-15-39/h1-30H
InChIKeyWOTSJHCRLDWDQF-UHFFFAOYSA-N
XLogP15.58
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.80
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene with MolForge

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Related Compounds

9-[[4-(1,2,3,4-Tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
CID 71578978
5,12-Dimethylindolo[3,2-c]carbazole
CID 44581118
Indoles
CID 139191468
Tris(4-carbazoyl-9-ylphenyl)amine
CID 9962045
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
10,15-Dihydro-5H-diindolo(3,2-a:3',2'-c)carbazole
CID 13707158
1,3-Bis(N-carbazolyl)benzene
CID 22020377
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845

Frequently Asked Questions

What is the IUPAC name of 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The IUPAC name of 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene (CID 102106377) is 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene.
What is the SMILES notation for 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The canonical SMILES for 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is FC(F)(F)c1ccc(-c2cc3c(c4cc(-c5ccc(C(F)(F)F)cc5)n(-c5ccccc5)c4c4cc(-c5ccc(C(F)(F)F)cc5)n(-c5ccccc5)c34)n2-c2ccccc2)cc1.
What is the InChIKey of 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
The InChIKey is WOTSJHCRLDWDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30F9N3/c52-49(53,54)34-22-16-31(17-23-34)43-28-40-46(61(43)37-10-4-1-5-11-37)41-29-44(32-18-24-35(25-19-32)50(55,56)57)62(38-12-6-2-7-13-38)48(41)42-30-45(33-20-26-36(27-21-33)51(58,59)60)63(47(40)42)39-14-8-3-9-15-39/h1-30H.
What are the key properties of 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene?
3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene has a molecular weight of 855.80 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,13-triphenyl-4,9,14-tris[4-(trifluoromethyl)phenyl]-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene is sourced from PubChem (CID 102106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).