16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene

C62H28F12 — CID 146161751

IUPAC16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene
SMILESFC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)c3cc4c5c(cc6c7c8c(cc9c%10c(cc2c(c3c57)c%108)-c2ccccc2-9)C6(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)-c2ccccc2-4)cc1
InChIInChI=1S/C62H28F12/c63-59(64,65)33-17-9-29(10-18-33)57(30-11-19-34(20-12-30)60(66,67)68)45-25-41-37-5-1-2-6-38(37)42-26-46-52-54-48(58(46,31-13-21-35(22-14-31)61(69,70)71)32-15-23-36(24-16-32)62(72,73)74)28-44-40-8-4-3-7-39(40)43-27-47(57)53(56(54)50(43)44)51(45)55(52)49(41)42/h1-28H
InChIKeyWIVIEZMHGFSBIS-UHFFFAOYSA-N
MW1000.88 g/mol
LogP18.50
Rot. Bonds4

About 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene

16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene (PubChem CID 146161751) has the molecular formula C62H28F12 and a molecular weight of 1000.88 g/mol. Its IUPAC name is 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene.

Molecular Properties

Compound Name16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene
PubChem CID146161751
Molecular FormulaC62H28F12
Molecular Weight1000.88 g/mol
Exact Mass1000.20
IUPAC Name16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene
SMILESFC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)c3cc4c5c(cc6c7c8c(cc9c%10c(cc2c(c3c57)c%108)-c2ccccc2-9)C6(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)-c2ccccc2-4)cc1
InChIInChI=1S/C62H28F12/c63-59(64,65)33-17-9-29(10-18-33)57(30-11-19-34(20-12-30)60(66,67)68)45-25-41-37-5-1-2-6-38(37)42-26-46-52-54-48(58(46,31-13-21-35(22-14-31)61(69,70)71)32-15-23-36(24-16-32)62(72,73)74)28-44-40-8-4-3-7-39(40)43-27-47(57)53(56(54)50(43)44)51(45)55(52)49(41)42/h1-28H
InChIKeyWIVIEZMHGFSBIS-UHFFFAOYSA-N
XLogP18.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.88
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene?
The IUPAC name of 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene (CID 146161751) is 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene.
What is the SMILES notation for 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene?
The canonical SMILES for 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene is FC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)c3cc4c5c(cc6c7c8c(cc9c%10c(cc2c(c3c57)c%108)-c2ccccc2-9)C6(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)-c2ccccc2-4)cc1.
What is the InChIKey of 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene?
The InChIKey is WIVIEZMHGFSBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H28F12/c63-59(64,65)33-17-9-29(10-18-33)57(30-11-19-34(20-12-30)60(66,67)68)45-25-41-37-5-1-2-6-38(37)42-26-46-52-54-48(58(46,31-13-21-35(22-14-31)61(69,70)71)32-15-23-36(24-16-32)62(72,73)74)28-44-40-8-4-3-7-39(40)43-27-47(57)53(56(54)50(43)44)51(45)55(52)49(41)42/h1-28H.
What are the key properties of 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene?
16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene has a molecular weight of 1000.88 g/mol, XLogP of 18.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,29,29-tetrakis[4-(trifluoromethyl)phenyl]undecacyclo[17.13.1.16,30.02,17.03,15.04,31.05,13.07,12.020,25.026,33.028,32]tetratriaconta-1(33),2(17),3(15),4,6(34),7,9,11,13,18,20,22,24,26,28(32),30-hexadecaene is sourced from PubChem (CID 146161751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).