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

C82H56N8S — CID 155483110

IUPACN-[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
SMILESCc1cc(-c2c3nsnc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(C)c3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)ccc1N(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C82H56N8S/c1-53-49-57(41-45-69(53)87(59-29-13-5-14-30-59)63-43-47-73-67(51-63)65-37-21-23-39-71(65)89(73)61-33-17-7-18-34-61)75-79-80(84-78(56-27-11-4-12-28-56)77(83-79)55-25-9-3-10-26-55)76(82-81(75)85-91-86-82)58-42-46-70(54(2)50-58)88(60-31-15-6-16-32-60)64-44-48-74-68(52-64)66-38-22-24-40-72(66)90(74)62-35-19-8-20-36-62/h3-52H,1-2H3
InChIKeyXOPKVMBCIGHORE-UHFFFAOYSA-N
MW1185.47 g/mol
LogP22.05
Rot. Bonds12

About 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

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 (PubChem CID 155483110) has the molecular formula C82H56N8S and a molecular weight of 1185.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155483110
Molecular FormulaC82H56N8S
Molecular Weight1185.47 g/mol
Exact Mass1184.43
IUPAC NameN-[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
SMILESCc1cc(-c2c3nsnc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(C)c3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)ccc1N(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C82H56N8S/c1-53-49-57(41-45-69(53)87(59-29-13-5-14-30-59)63-43-47-73-67(51-63)65-37-21-23-39-71(65)89(73)61-33-17-7-18-34-61)75-79-80(84-78(56-27-11-4-12-28-56)77(83-79)55-25-9-3-10-26-55)76(82-81(75)85-91-86-82)58-42-46-70(54(2)50-58)88(60-31-15-6-16-32-60)64-44-48-74-68(52-64)66-38-22-24-40-72(66)90(74)62-35-19-8-20-36-62/h3-52H,1-2H3
InChIKeyXOPKVMBCIGHORE-UHFFFAOYSA-N
XLogP22.05
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.47
LogP ≤ 522.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(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
4-N,9-N-bis(4-carbazol-9-yl-2-methylphenyl)-4-N,9-N,6,7-tetraphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diamine
CID 155483236
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
N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59260015
N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[5-[3-[5-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[4-[4-[3-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]carbazol-3-amine
CID 158704413
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135880
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181394
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730632

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2c3nsnc3c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(C)c3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)ccc1N(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is XOPKVMBCIGHORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N8S/c1-53-49-57(41-45-69(53)87(59-29-13-5-14-30-59)63-43-47-73-67(51-63)65-37-21-23-39-71(65)89(73)61-33-17-7-18-34-61)75-79-80(84-78(56-27-11-4-12-28-56)77(83-79)55-25-9-3-10-26-55)76(82-81(75)85-91-86-82)58-42-46-70(54(2)50-58)88(60-31-15-6-16-32-60)64-44-48-74-68(52-64)66-38-22-24-40-72(66)90(74)62-35-19-8-20-36-62/h3-52H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1185.47 g/mol, XLogP of 22.05, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155483110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).