8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

C54H28F12N2O2 — CID 153194496

IUPAC8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
SMILESFC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C(F)(F)F)cc7)c7ccc(C(F)(F)F)cc7)ccc6cc5c3c24)cc1
InChIInChI=1S/C54H28F12N2O2/c55-51(56,57)33-3-13-37(14-4-33)67(38-15-5-34(6-16-38)52(58,59)60)41-11-1-29-25-43-47(27-31(29)23-41)69-45-21-22-46-50(49(43)45)44-26-30-2-12-42(24-32(30)28-48(44)70-46)68(39-17-7-35(8-18-39)53(61,62)63)40-19-9-36(10-20-40)54(64,65)66/h1-28H
InChIKeyWIRYXRBZAPKZGG-UHFFFAOYSA-N
MW964.81 g/mol
LogP18.81
Rot. Bonds6

About 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 153194496) has the molecular formula C54H28F12N2O2 and a molecular weight of 964.81 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
PubChem CID153194496
Molecular FormulaC54H28F12N2O2
Molecular Weight964.81 g/mol
Exact Mass964.20
IUPAC Name8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
SMILESFC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C(F)(F)F)cc7)c7ccc(C(F)(F)F)cc7)ccc6cc5c3c24)cc1
InChIInChI=1S/C54H28F12N2O2/c55-51(56,57)33-3-13-37(14-4-33)67(38-15-5-34(6-16-38)52(58,59)60)41-11-1-29-25-43-47(27-31(29)23-41)69-45-21-22-46-50(49(43)45)44-26-30-2-12-42(24-32(30)28-48(44)70-46)68(39-17-7-35(8-18-39)53(61,62)63)40-19-9-36(10-20-40)54(64,65)66/h1-28H
InChIKeyWIRYXRBZAPKZGG-UHFFFAOYSA-N
XLogP18.81
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.81
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine 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 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (CID 153194496) is 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is FC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C(F)(F)F)cc7)c7ccc(C(F)(F)F)cc7)ccc6cc5c3c24)cc1.
What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
The InChIKey is WIRYXRBZAPKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28F12N2O2/c55-51(56,57)33-3-13-37(14-4-33)67(38-15-5-34(6-16-38)52(58,59)60)41-11-1-29-25-43-47(27-31(29)23-41)69-45-21-22-46-50(49(43)45)44-26-30-2-12-42(24-32(30)28-48(44)70-46)68(39-17-7-35(8-18-39)53(61,62)63)40-19-9-36(10-20-40)54(64,65)66/h1-28H.
What are the key properties of 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?
8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 964.81 g/mol, XLogP of 18.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 153194496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).