7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine

C74H42F6N4O2S — CID 155135823

IUPAC7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C74H42F6N4O2S/c75-73(76,77)52-23-9-43(10-24-52)48-19-34-64-60(39-48)61-40-49(44-11-25-53(26-12-44)74(78,79)80)20-35-65(61)84(64)56-31-17-47(18-32-56)57-33-36-66(72-71(57)81-87-82-72)83(54-27-13-45(14-28-54)50-21-37-69-62(41-50)58-5-1-3-7-67(58)85-69)55-29-15-46(16-30-55)51-22-38-70-63(42-51)59-6-2-4-8-68(59)86-70/h1-42H
InChIKeyZEUJXOUICRXUMA-UHFFFAOYSA-N
MW1165.23 g/mol
LogP22.43
Rot. Bonds9

About 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine

7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 155135823) has the molecular formula C74H42F6N4O2S and a molecular weight of 1165.23 g/mol. Its IUPAC name is 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID155135823
Molecular FormulaC74H42F6N4O2S
Molecular Weight1165.23 g/mol
Exact Mass1164.29
IUPAC Name7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C74H42F6N4O2S/c75-73(76,77)52-23-9-43(10-24-52)48-19-34-64-60(39-48)61-40-49(44-11-25-53(26-12-44)74(78,79)80)20-35-65(61)84(64)56-31-17-47(18-32-56)57-33-36-66(72-71(57)81-87-82-72)83(54-27-13-45(14-28-54)50-21-37-69-62(41-50)58-5-1-3-7-67(58)85-69)55-29-15-46(16-30-55)51-22-38-70-63(42-51)59-6-2-4-8-68(59)86-70/h1-42H
InChIKeyZEUJXOUICRXUMA-UHFFFAOYSA-N
XLogP22.43
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.23
LogP ≤ 522.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine (CID 155135823) is 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine is FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4nsnc34)cc2)cc1.
What is the InChIKey of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is ZEUJXOUICRXUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42F6N4O2S/c75-73(76,77)52-23-9-43(10-24-52)48-19-34-64-60(39-48)61-40-49(44-11-25-53(26-12-44)74(78,79)80)20-35-65(61)84(64)56-31-17-47(18-32-56)57-33-36-66(72-71(57)81-87-82-72)83(54-27-13-45(14-28-54)50-21-37-69-62(41-50)58-5-1-3-7-67(58)85-69)55-29-15-46(16-30-55)51-22-38-70-63(42-51)59-6-2-4-8-68(59)86-70/h1-42H.
What are the key properties of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine?
7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1165.23 g/mol, XLogP of 22.43, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 155135823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).