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

C80H52N8S — CID 172715766

IUPAC1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(Nc2cc(-c3ccc(-c4c5nsnc5c(-c5ccc(-c6cc(Nc7ccccc7)cc7c8ccccc8n(-c8ccccc8)c67)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3)c3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C80H52N8S/c1-7-23-55(24-8-1)73-74(56-25-9-2-10-26-56)84-76-72(54-45-41-52(42-46-54)66-48-60(82-58-29-13-4-14-30-58)50-68-64-36-20-22-38-70(64)88(80(66)68)62-33-17-6-18-34-62)78-77(85-89-86-78)71(75(76)83-73)53-43-39-51(40-44-53)65-47-59(81-57-27-11-3-12-28-57)49-67-63-35-19-21-37-69(63)87(79(65)67)61-31-15-5-16-32-61/h1-50,81-82H
InChIKeyFVOOFNNVXFHSLT-UHFFFAOYSA-N
MW1157.42 g/mol
LogP21.32
Rot. Bonds12

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

1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 172715766) has the molecular formula C80H52N8S and a molecular weight of 1157.42 g/mol. Its IUPAC name is 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID172715766
Molecular FormulaC80H52N8S
Molecular Weight1157.42 g/mol
Exact Mass1156.40
IUPAC Name1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(Nc2cc(-c3ccc(-c4c5nsnc5c(-c5ccc(-c6cc(Nc7ccccc7)cc7c8ccccc8n(-c8ccccc8)c67)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3)c3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C80H52N8S/c1-7-23-55(24-8-1)73-74(56-25-9-2-10-26-56)84-76-72(54-45-41-52(42-46-54)66-48-60(82-58-29-13-4-14-30-58)50-68-64-36-20-22-38-70(64)88(80(66)68)62-33-17-6-18-34-62)78-77(85-89-86-78)71(75(76)83-73)53-43-39-51(40-44-53)65-47-59(81-57-27-11-3-12-28-57)49-67-63-35-19-21-37-69(63)87(79(65)67)61-31-15-5-16-32-61/h1-50,81-82H
InChIKeyFVOOFNNVXFHSLT-UHFFFAOYSA-N
XLogP21.32
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.42
LogP ≤ 521.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
CID 146296558
6,7-diphenyl-4,9-bis[4-(4-phenylphenyl)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 139352086
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-[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
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
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
1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 161099965
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
N-[4-(9-phenylcarbazol-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 118188114

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 172715766) is 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)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 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(Nc2cc(-c3ccc(-c4c5nsnc5c(-c5ccc(-c6cc(Nc7ccccc7)cc7c8ccccc8n(-c8ccccc8)c67)cc5)c5nc(-c6ccccc6)c(-c6ccccc6)nc45)cc3)c3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is FVOOFNNVXFHSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N8S/c1-7-23-55(24-8-1)73-74(56-25-9-2-10-26-56)84-76-72(54-45-41-52(42-46-54)66-48-60(82-58-29-13-4-14-30-58)50-68-64-36-20-22-38-70(64)88(80(66)68)62-33-17-6-18-34-62)78-77(85-89-86-78)71(75(76)83-73)53-43-39-51(40-44-53)65-47-59(81-57-27-11-3-12-28-57)49-67-63-35-19-21-37-69(63)87(79(65)67)61-31-15-5-16-32-61/h1-50,81-82H.
What are the key properties of 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?
1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)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 1157.42 g/mol, XLogP of 21.32, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)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 172715766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).