N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

C79H53F3N4O2S — CID 155445457

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)c1ccc(-c2cc3c(c4ccccc24)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5nsnc45)ccc2n3-c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C79H53F3N4O2S/c80-79(81,82)62-32-25-57(26-33-62)71-51-75-76(70-24-14-13-23-69(70)71)72-50-58(31-43-73(72)86(75)65-38-40-67(41-39-65)88-46-45-87-66-21-11-4-12-22-66)68-42-44-74(78-77(68)83-89-84-78)85(63-34-27-55(28-35-63)52-15-5-1-6-16-52)64-36-29-56(30-37-64)61-48-59(53-17-7-2-8-18-53)47-60(49-61)54-19-9-3-10-20-54/h1-44,47-51H,45-46H2
InChIKeyLUJRCKDRNHZJNH-UHFFFAOYSA-N
MW1179.38 g/mol
LogP21.89
Rot. Bonds15

About N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 155445457) has the molecular formula C79H53F3N4O2S and a molecular weight of 1179.38 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID155445457
Molecular FormulaC79H53F3N4O2S
Molecular Weight1179.38 g/mol
Exact Mass1178.38
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
SMILESFC(F)(F)c1ccc(-c2cc3c(c4ccccc24)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5nsnc45)ccc2n3-c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C79H53F3N4O2S/c80-79(81,82)62-32-25-57(26-33-62)71-51-75-76(70-24-14-13-23-69(70)71)72-50-58(31-43-73(72)86(75)65-38-40-67(41-39-65)88-46-45-87-66-21-11-4-12-22-66)68-42-44-74(78-77(68)83-89-84-78)85(63-34-27-55(28-35-63)52-15-5-1-6-16-52)64-36-29-56(30-37-64)61-48-59(53-17-7-2-8-18-53)47-60(49-61)54-19-9-3-10-20-54/h1-44,47-51H,45-46H2
InChIKeyLUJRCKDRNHZJNH-UHFFFAOYSA-N
XLogP21.89
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.38
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (CID 155445457) is N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is FC(F)(F)c1ccc(-c2cc3c(c4ccccc24)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)c5nsnc45)ccc2n3-c2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is LUJRCKDRNHZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H53F3N4O2S/c80-79(81,82)62-32-25-57(26-33-62)71-51-75-76(70-24-14-13-23-69(70)71)72-50-58(31-43-73(72)86(75)65-38-40-67(41-39-65)88-46-45-87-66-21-11-4-12-22-66)68-42-44-74(78-77(68)83-89-84-78)85(63-34-27-55(28-35-63)52-15-5-1-6-16-52)64-36-29-56(30-37-64)61-48-59(53-17-7-2-8-18-53)47-60(49-61)54-19-9-3-10-20-54/h1-44,47-51H,45-46H2.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?
N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1179.38 g/mol, XLogP of 21.89, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-7-[7-[4-(2-phenoxyethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]benzo[c]carbazol-10-yl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 155445457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).