8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C55H24F10N8 — CID 135131058

IUPAC8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1c(F)c(F)c(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5cccnc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C55H24F10N8/c56-40-38(41(57)45(61)48(64)44(40)60)54-68-53(69-55(70-54)39-42(58)46(62)49(65)47(63)43(39)59)25-23-36(71-30-15-5-1-11-26(30)27-12-2-6-16-31(27)71)52(73-34-19-9-21-66-50(34)51-35(73)20-10-22-67-51)37(24-25)72-32-17-7-3-13-28(32)29-14-4-8-18-33(29)72/h1-24H
InChIKeyHPJHUCZUVZCFSK-UHFFFAOYSA-N
MW986.83 g/mol
LogP14.34
Rot. Bonds6

About 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 135131058) has the molecular formula C55H24F10N8 and a molecular weight of 986.83 g/mol. Its IUPAC name is 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID135131058
Molecular FormulaC55H24F10N8
Molecular Weight986.83 g/mol
Exact Mass986.20
IUPAC Name8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESFc1c(F)c(F)c(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5cccnc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C55H24F10N8/c56-40-38(41(57)45(61)48(64)44(40)60)54-68-53(69-55(70-54)39-42(58)46(62)49(65)47(63)43(39)59)25-23-36(71-30-15-5-1-11-26(30)27-12-2-6-16-31(27)71)52(73-34-19-9-21-66-50(34)51-35(73)20-10-22-67-51)37(24-25)72-32-17-7-3-13-28(32)29-14-4-8-18-33(29)72/h1-24H
InChIKeyHPJHUCZUVZCFSK-UHFFFAOYSA-N
XLogP14.34
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.83
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 135131058) is 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Fc1c(F)c(F)c(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5cccnc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F.
What is the InChIKey of 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is HPJHUCZUVZCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H24F10N8/c56-40-38(41(57)45(61)48(64)44(40)60)54-68-53(69-55(70-54)39-42(58)46(62)49(65)47(63)43(39)59)25-23-36(71-30-15-5-1-11-26(30)27-12-2-6-16-31(27)71)52(73-34-19-9-21-66-50(34)51-35(73)20-10-22-67-51)37(24-25)72-32-17-7-3-13-28(32)29-14-4-8-18-33(29)72/h1-24H.
What are the key properties of 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 986.83 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 135131058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).