(2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene

C51H32F12N4 — CID 137284924

IUPAC(2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESFC(F)(F)c1c(C(F)(F)F)c2n3c1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1c(C(F)(F)F)c(C(F)(F)F)c(n1CCC3)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C51H32F12N4/c52-48(53,54)40-41(49(55,56)57)45-38(30-18-9-3-10-19-30)34-24-25-35(65-34)39(31-20-11-4-12-21-31)47-43(51(61,62)63)42(50(58,59)60)46-37(29-16-7-2-8-17-29)33-23-22-32(64-33)36(28-14-5-1-6-15-28)44(40)66(45)26-13-27-67(46)47/h1-12,14-25,64-65H,13,26-27H2/b36-32-,37-33-,38-34+,39-35+,44-36-,45-38-,46-37-,47-39-
InChIKeyLAAMJJANFJUZBC-PNUJLOIOSA-N
MW928.82 g/mol
LogP10.73
Rot. Bonds4

About (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene

(2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 137284924) has the molecular formula C51H32F12N4 and a molecular weight of 928.82 g/mol. Its IUPAC name is (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name(2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene
PubChem CID137284924
Molecular FormulaC51H32F12N4
Molecular Weight928.82 g/mol
Exact Mass928.24
IUPAC Name(2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESFC(F)(F)c1c(C(F)(F)F)c2n3c1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1c(C(F)(F)F)c(C(F)(F)F)c(n1CCC3)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C51H32F12N4/c52-48(53,54)40-41(49(55,56)57)45-38(30-18-9-3-10-19-30)34-24-25-35(65-34)39(31-20-11-4-12-21-31)47-43(51(61,62)63)42(50(58,59)60)46-37(29-16-7-2-8-17-29)33-23-22-32(64-33)36(28-14-5-1-6-15-28)44(40)66(45)26-13-27-67(46)47/h1-12,14-25,64-65H,13,26-27H2/b36-32-,37-33-,38-34+,39-35+,44-36-,45-38-,46-37-,47-39-
InChIKeyLAAMJJANFJUZBC-PNUJLOIOSA-N
XLogP10.73
TPSA41.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.82
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,10,15,20-Tetrakis(2,3,4,5,6-pentafluorophenyl)-21,22,23,24-tetrahydroporphyrin
CID 54394837
5,10,15,20-Tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
CID 54483995
2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin
CID 54568080
5,10,15,20-Tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
CID 90685220
5,10,15-Tris(2,3,4,5,6-pentafluorophenyl)-21,22,23,24-tetrahydroporphyrin
CID 91439172
2,7,12,17,22,27-Hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8,10,12,14,16(34),17,19,21,23,25,27,29-hexadecaene
CID 16180475
2,7,12,17,22,27-Hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18(33),19,21,23,25,27,29-hexadecaene
CID 46853856
5,10,15,20-Tetrakis(3,5-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
CID 90781202
4-[10,15,20-Tris(2,3,4,5,6-pentafluorophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]aniline
CID 91079691
2,3,7,8,17,18,22,24-Octaethyl-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
CID 91135125
5,10,15,20-Tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
CID 91203819
5,10,15,20-Tetrakis(2,3,4,5-tetrafluorophenyl)-21,22,23,24-tetrahydroporphyrin
CID 91567900

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene (CID 137284924) is (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene is FC(F)(F)c1c(C(F)(F)F)c2n3c1/C(c1ccccc1)=c1/cc/c([nH]1)=C(\c1ccccc1)c1c(C(F)(F)F)c(C(F)(F)F)c(n1CCC3)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1.
What is the InChIKey of (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is LAAMJJANFJUZBC-PNUJLOIOSA-N. The full InChI is InChI=1S/C51H32F12N4/c52-48(53,54)40-41(49(55,56)57)45-38(30-18-9-3-10-19-30)34-24-25-35(65-34)39(31-20-11-4-12-21-31)47-43(51(61,62)63)42(50(58,59)60)46-37(29-16-7-2-8-17-29)33-23-22-32(64-33)36(28-14-5-1-6-15-28)44(40)66(45)26-13-27-67(46)47/h1-12,14-25,64-65H,13,26-27H2/b36-32-,37-33-,38-34+,39-35+,44-36-,45-38-,46-37-,47-39-.
What are the key properties of (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
(2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 928.82 g/mol, XLogP of 10.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z,12Z,16Z)-2,7,12,17-tetraphenyl-9,10,19,20-tetrakis(trifluoromethyl)-21,25,26,27-tetrazahexacyclo[9.9.5.13,6.113,16.08,25.018,21]heptacosa-1(20),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 137284924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).