N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine

C60H28F10N4OS — CID 146248748

IUPACN,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine
SMILESFc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4c(F)c(F)c(F)c(F)c4F)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)c4nsnc34)cc2)c(F)c1F
InChIInChI=1S/C60H28F10N4OS/c61-49-46(50(62)54(66)57(69)53(49)65)30-13-18-33(19-14-30)73(34-20-15-31(16-21-34)47-51(63)55(67)58(70)56(68)52(47)64)43-26-25-39(59-60(43)72-76-71-59)38-10-6-12-42-48(38)40-9-4-5-11-41(40)74(42)35-22-24-37-36-23-17-32(29-7-2-1-3-8-29)27-44(36)75-45(37)28-35/h1-28H
InChIKeyWGMPLBWUXOAFRJ-UHFFFAOYSA-N
MW1042.96 g/mol
LogP18.22
Rot. Bonds8

About N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine

N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 146248748) has the molecular formula C60H28F10N4OS and a molecular weight of 1042.96 g/mol. Its IUPAC name is N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine
PubChem CID146248748
Molecular FormulaC60H28F10N4OS
Molecular Weight1042.96 g/mol
Exact Mass1042.18
IUPAC NameN,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine
SMILESFc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4c(F)c(F)c(F)c(F)c4F)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)c4nsnc34)cc2)c(F)c1F
InChIInChI=1S/C60H28F10N4OS/c61-49-46(50(62)54(66)57(69)53(49)65)30-13-18-33(19-14-30)73(34-20-15-31(16-21-34)47-51(63)55(67)58(70)56(68)52(47)64)43-26-25-39(59-60(43)72-76-71-59)38-10-6-12-42-48(38)40-9-4-5-11-41(40)74(42)35-22-24-37-36-23-17-32(29-7-2-1-3-8-29)27-44(36)75-45(37)28-35/h1-28H
InChIKeyWGMPLBWUXOAFRJ-UHFFFAOYSA-N
XLogP18.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.96
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine 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 N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine (CID 146248748) is N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine is Fc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4c(F)c(F)c(F)c(F)c4F)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)c4nsnc34)cc2)c(F)c1F.
What is the InChIKey of N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is WGMPLBWUXOAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H28F10N4OS/c61-49-46(50(62)54(66)57(69)53(49)65)30-13-18-33(19-14-30)73(34-20-15-31(16-21-34)47-51(63)55(67)58(70)56(68)52(47)64)43-26-25-39(59-60(43)72-76-71-59)38-10-6-12-42-48(38)40-9-4-5-11-41(40)74(42)35-22-24-37-36-23-17-32(29-7-2-1-3-8-29)27-44(36)75-45(37)28-35/h1-28H.
What are the key properties of N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine?
N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1042.96 g/mol, XLogP of 18.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7-[9-(7-phenyldibenzofuran-3-yl)carbazol-4-yl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 146248748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).