7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine

C86H52F6N6O2S — CID 155135824

IUPAC7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C86H52F6N6O2S/c87-85(88,89)62-33-19-53(20-34-62)58-29-44-72-70(49-58)71-50-59(54-21-35-63(36-22-54)86(90,91)92)30-45-73(71)96(72)68-41-27-57(28-42-68)69-43-48-78(84-83(69)93-101-94-84)95(66-37-23-55(24-38-66)60-31-46-76-81(51-60)99-79-17-9-7-15-74(79)97(76)64-11-3-1-4-12-64)67-39-25-56(26-40-67)61-32-47-77-82(52-61)100-80-18-10-8-16-75(80)98(77)65-13-5-2-6-14-65/h1-52H
InChIKeyLVMRTNFIVIIYDJ-UHFFFAOYSA-N
MW1347.46 g/mol
LogP25.78
Rot. Bonds11

About 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine

7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 155135824) has the molecular formula C86H52F6N6O2S and a molecular weight of 1347.46 g/mol. Its IUPAC name is 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-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-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID155135824
Molecular FormulaC86H52F6N6O2S
Molecular Weight1347.46 g/mol
Exact Mass1346.38
IUPAC Name7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)cc4)c4nsnc34)cc2)cc1
InChIInChI=1S/C86H52F6N6O2S/c87-85(88,89)62-33-19-53(20-34-62)58-29-44-72-70(49-58)71-50-59(54-21-35-63(36-22-54)86(90,91)92)30-45-73(71)96(72)68-41-27-57(28-42-68)69-43-48-78(84-83(69)93-101-94-84)95(66-37-23-55(24-38-66)60-31-46-76-81(51-60)99-79-17-9-7-15-74(79)97(76)64-11-3-1-4-12-64)67-39-25-56(26-40-67)61-32-47-77-82(52-61)100-80-18-10-8-16-75(80)98(77)65-13-5-2-6-14-65/h1-52H
InChIKeyLVMRTNFIVIIYDJ-UHFFFAOYSA-N
XLogP25.78
TPSA58.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.46
LogP ≤ 525.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-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 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-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-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine (CID 155135824) is 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-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-(10-phenylphenoxazin-3-yl)phenyl]-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-(10-phenylphenoxazin-3-yl)phenyl]-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(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)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-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is LVMRTNFIVIIYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52F6N6O2S/c87-85(88,89)62-33-19-53(20-34-62)58-29-44-72-70(49-58)71-50-59(54-21-35-63(36-22-54)86(90,91)92)30-45-73(71)96(72)68-41-27-57(28-42-68)69-43-48-78(84-83(69)93-101-94-84)95(66-37-23-55(24-38-66)60-31-46-76-81(51-60)99-79-17-9-7-15-74(79)97(76)64-11-3-1-4-12-64)67-39-25-56(26-40-67)61-32-47-77-82(52-61)100-80-18-10-8-16-75(80)98(77)65-13-5-2-6-14-65/h1-52H.
What are the key properties of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine?
7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1347.46 g/mol, XLogP of 25.78, 11 rotatable bonds, 0 hydrogen bond donors, and 9 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-(10-phenylphenoxazin-3-yl)phenyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 155135824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).