N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline

C110H74N6S4 — CID 132937114

IUPACN,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C(=C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(-c6ccc(-c7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)c7nsnc67)s5)s4)c4nsnc34)cc2)c2ccccc2)cc1
InChIInChI=1S/C110H74N6S4/c1-11-31-77(32-12-1)101(78-33-13-2-14-34-78)103(81-39-19-5-20-40-81)83-55-51-75(52-56-83)93-67-69-95(109-107(93)111-119-113-109)97-71-73-99(117-97)106(105(85-59-63-91(64-60-85)115(87-43-23-7-24-44-87)88-45-25-8-26-46-88)86-61-65-92(66-62-86)116(89-47-27-9-28-48-89)90-49-29-10-30-50-90)100-74-72-98(118-100)96-70-68-94(108-110(96)114-120-112-108)76-53-57-84(58-54-76)104(82-41-21-6-22-42-82)102(79-35-15-3-16-36-79)80-37-17-4-18-38-80/h1-74H
InChIKeyXODHNWXCKFHNGE-UHFFFAOYSA-N
MW1608.11 g/mol
LogP30.45
Rot. Bonds22

About N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline

N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline (PubChem CID 132937114) has the molecular formula C110H74N6S4 and a molecular weight of 1608.11 g/mol. Its IUPAC name is N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline
PubChem CID132937114
Molecular FormulaC110H74N6S4
Molecular Weight1608.11 g/mol
Exact Mass1606.49
IUPAC NameN,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C(=C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(-c6ccc(-c7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)c7nsnc67)s5)s4)c4nsnc34)cc2)c2ccccc2)cc1
InChIInChI=1S/C110H74N6S4/c1-11-31-77(32-12-1)101(78-33-13-2-14-34-78)103(81-39-19-5-20-40-81)83-55-51-75(52-56-83)93-67-69-95(109-107(93)111-119-113-109)97-71-73-99(117-97)106(105(85-59-63-91(64-60-85)115(87-43-23-7-24-44-87)88-45-25-8-26-46-88)86-61-65-92(66-62-86)116(89-47-27-9-28-48-89)90-49-29-10-30-50-90)100-74-72-98(118-100)96-70-68-94(108-110(96)114-120-112-108)76-53-57-84(58-54-76)104(82-41-21-6-22-42-82)102(79-35-15-3-16-36-79)80-37-17-4-18-38-80/h1-74H
InChIKeyXODHNWXCKFHNGE-UHFFFAOYSA-N
XLogP30.45
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001608.11
LogP ≤ 530.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline with MolForge

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Related Compounds

5-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophene-2-carbaldehyde
CID 102398558
4-[4-[2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]-7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole
CID 123446460
4-methyl-N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]-N-phenylaniline
CID 122234035
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4,7-bis[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole;4,7-bis[5-[4-(1,2,2-triphenylethenyl)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-bromo-7-(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4,7-dibromo-2,1,3-benzothiadiazole;7-[4-(1,2,2-triphenylethenyl)phenyl]-4-[5-[4-(1,2,2-triphenylethenyl)phenyl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 161251735
N,N-diphenyl-4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)aniline;N,N-diphenyl-4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)aniline
CID 158787180
ethane;4-[4-(1-methylpyridin-1-ium-4-yl)-2,1,3-benzothiadiazol-7-yl]-N,N-diphenylaniline
CID 178112718
4,7-bis[4-[4-[2,2-bis(4-tert-butylphenyl)-1-phenylethenyl]phenyl]phenyl]-2,1,3-benzothiadiazole
CID 142391258
N,N-diphenyl-4-[(E)-2-[5-[4-[5-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]ethenyl]aniline
CID 102516014
[(Z)-1-cyano-2-[5-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl] formate
CID 89433031
N-phenyl-N-[4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)phenyl]-3-[3-(N-[4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)phenyl]anilino)phenyl]aniline
CID 138468981
N-(4-nitrophenyl)-4-[4-[4-(N-(4-nitrophenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]-N-phenylaniline
CID 177492463
4-[5-(3-phenylphenanthro[9,10-d]imidazol-2-yl)thiophen-2-yl]-7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole
CID 122210026

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline (CID 132937114) is N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline is c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C(=C(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc(-c6ccc(-c7ccc(C(=C(c8ccccc8)c8ccccc8)c8ccccc8)cc7)c7nsnc67)s5)s4)c4nsnc34)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline?
The InChIKey is XODHNWXCKFHNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H74N6S4/c1-11-31-77(32-12-1)101(78-33-13-2-14-34-78)103(81-39-19-5-20-40-81)83-55-51-75(52-56-83)93-67-69-95(109-107(93)111-119-113-109)97-71-73-99(117-97)106(105(85-59-63-91(64-60-85)115(87-43-23-7-24-44-87)88-45-25-8-26-46-88)86-61-65-92(66-62-86)116(89-47-27-9-28-48-89)90-49-29-10-30-50-90)100-74-72-98(118-100)96-70-68-94(108-110(96)114-120-112-108)76-53-57-84(58-54-76)104(82-41-21-6-22-42-82)102(79-35-15-3-16-36-79)80-37-17-4-18-38-80/h1-74H.
What are the key properties of N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline?
N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline has a molecular weight of 1608.11 g/mol, XLogP of 30.45, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[1-[4-(N-phenylanilino)phenyl]-2,2-bis[5-[7-[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]ethenyl]aniline is sourced from PubChem (CID 132937114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).