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

C80H54N8S — CID 170245968

IUPACN-[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
SMILESC1=Cc2c(c3cc(N(c4ccccc4)c4ccc(-c5c6nsnc6c(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)cc4)ccc3n2-c2ccccc2)CC1
InChIInChI=1S/C80H54N8S/c1-7-23-55(24-8-1)75-76(56-25-9-2-10-26-56)82-78-74(54-41-45-62(46-42-54)86(58-29-13-4-14-30-58)64-48-50-72-68(52-64)66-36-20-22-38-70(66)88(72)60-33-17-6-18-34-60)80-79(83-89-84-80)73(77(78)81-75)53-39-43-61(44-40-53)85(57-27-11-3-12-28-57)63-47-49-71-67(51-63)65-35-19-21-37-69(65)87(71)59-31-15-5-16-32-59/h1-19,21-35,37-52H,20,36H2
InChIKeyVETKHZPZBQHTHG-UHFFFAOYSA-N
MW1159.44 g/mol
LogP21.24
Rot. Bonds12

About 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

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 (PubChem CID 170245968) has the molecular formula C80H54N8S and a molecular weight of 1159.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170245968
Molecular FormulaC80H54N8S
Molecular Weight1159.44 g/mol
Exact Mass1158.42
IUPAC NameN-[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
SMILESC1=Cc2c(c3cc(N(c4ccccc4)c4ccc(-c5c6nsnc6c(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)cc4)ccc3n2-c2ccccc2)CC1
InChIInChI=1S/C80H54N8S/c1-7-23-55(24-8-1)75-76(56-25-9-2-10-26-56)82-78-74(54-41-45-62(46-42-54)86(58-29-13-4-14-30-58)64-48-50-72-68(52-64)66-36-20-22-38-70(66)88(72)60-33-17-6-18-34-60)80-79(83-89-84-80)73(77(78)81-75)53-39-43-61(44-40-53)85(57-27-11-3-12-28-57)63-47-49-71-67(51-63)65-35-19-21-37-69(65)87(71)59-31-15-5-16-32-59/h1-19,21-35,37-52H,20,36H2
InChIKeyVETKHZPZBQHTHG-UHFFFAOYSA-N
XLogP21.24
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.44
LogP ≤ 521.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
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-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-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
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
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59260015
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2c(c3cc(N(c4ccccc4)c4ccc(-c5c6nsnc6c(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6)c6nc(-c7ccccc7)c(-c7ccccc7)nc56)cc4)ccc3n2-c2ccccc2)CC1.
What is the InChIKey of 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?
The InChIKey is VETKHZPZBQHTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N8S/c1-7-23-55(24-8-1)75-76(56-25-9-2-10-26-56)82-78-74(54-41-45-62(46-42-54)86(58-29-13-4-14-30-58)64-48-50-72-68(52-64)66-36-20-22-38-70(66)88(72)60-33-17-6-18-34-60)80-79(83-89-84-80)73(77(78)81-75)53-39-43-61(44-40-53)85(57-27-11-3-12-28-57)63-47-49-71-67(51-63)65-35-19-21-37-69(65)87(71)59-31-15-5-16-32-59/h1-19,21-35,37-52H,20,36H2.
What are the key properties of 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?
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 has a molecular weight of 1159.44 g/mol, XLogP of 21.24, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170245968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).