N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline

C84H60N8S — CID 155483229

IUPACN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3c4nsnc4c(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc5)cc4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C84H60N8S/c1-53-25-45-73-69(49-53)70-50-54(2)26-46-74(70)91(73)67-41-37-65(38-42-67)89(61-21-13-7-14-22-61)63-33-29-57(30-34-63)77-81-82(86-80(60-19-11-6-12-20-60)79(85-81)59-17-9-5-10-18-59)78(84-83(77)87-93-88-84)58-31-35-64(36-32-58)90(62-23-15-8-16-24-62)66-39-43-68(44-40-66)92-75-47-27-55(3)51-71(75)72-52-56(4)28-48-76(72)92/h5-52H,1-4H3
InChIKeyUBSFQAXALIGFJD-UHFFFAOYSA-N
MW1213.53 g/mol
LogP22.67
Rot. Bonds12

About N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline

N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline (PubChem CID 155483229) has the molecular formula C84H60N8S and a molecular weight of 1213.53 g/mol. Its IUPAC name is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline
PubChem CID155483229
Molecular FormulaC84H60N8S
Molecular Weight1213.53 g/mol
Exact Mass1212.47
IUPAC NameN-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3c4nsnc4c(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc5)cc4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1
InChIInChI=1S/C84H60N8S/c1-53-25-45-73-69(49-53)70-50-54(2)26-46-74(70)91(73)67-41-37-65(38-42-67)89(61-21-13-7-14-22-61)63-33-29-57(30-34-63)77-81-82(86-80(60-19-11-6-12-20-60)79(85-81)59-17-9-5-10-18-59)78(84-83(77)87-93-88-84)58-31-35-64(36-32-58)90(62-23-15-8-16-24-62)66-39-43-68(44-40-66)92-75-47-27-55(3)51-71(75)72-52-56(4)28-48-76(72)92/h5-52H,1-4H3
InChIKeyUBSFQAXALIGFJD-UHFFFAOYSA-N
XLogP22.67
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.53
LogP ≤ 522.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline with MolForge

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Related Compounds

N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
CID 118029528
N-[2-methyl-4-[4-[3-methyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 155483110
4-N,9-N-bis(4-methylphenyl)-6,7-diphenyl-4-N,9-N-bis(9-phenylcarbazol-3-yl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diamine
CID 155483068
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]pyrazin-2-yl]-N-phenylaniline
CID 58921983
N-[4-[6,7-diphenyl-9-[4-(N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxalin-4-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 170245968
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline?
The IUPAC name of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline (CID 155483229) is N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline.
What is the SMILES notation for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline?
The canonical SMILES for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc(-c3c4nsnc4c(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccc(C)cc7c7cc(C)ccc76)cc5)cc4)c4nc(-c5ccccc5)c(-c5ccccc5)nc34)cc2)cc1.
What is the InChIKey of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline?
The InChIKey is UBSFQAXALIGFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N8S/c1-53-25-45-73-69(49-53)70-50-54(2)26-46-74(70)91(73)67-41-37-65(38-42-67)89(61-21-13-7-14-22-61)63-33-29-57(30-34-63)77-81-82(86-80(60-19-11-6-12-20-60)79(85-81)59-17-9-5-10-18-59)78(84-83(77)87-93-88-84)58-31-35-64(36-32-58)90(62-23-15-8-16-24-62)66-39-43-68(44-40-66)92-75-47-27-55(3)51-71(75)72-52-56(4)28-48-76(72)92/h5-52H,1-4H3.
What are the key properties of N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline?
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline has a molecular weight of 1213.53 g/mol, XLogP of 22.67, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[4-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]-N-phenylaniline is sourced from PubChem (CID 155483229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).