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

C70H48N8S — CID 155483068

IUPAC4-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
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c3nsnc3c(N(c3ccc(C)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C70H48N8S/c1-45-31-35-51(36-32-45)75(53-39-41-61-57(43-53)55-27-15-17-29-59(55)77(61)49-23-11-5-12-24-49)69-65-66(72-64(48-21-9-4-10-22-48)63(71-65)47-19-7-3-8-20-47)70(68-67(69)73-79-74-68)76(52-37-33-46(2)34-38-52)54-40-42-62-58(44-54)56-28-16-18-30-60(56)78(62)50-25-13-6-14-26-50/h3-44H,1-2H3
InChIKeyUJULLOLKVYDMDQ-UHFFFAOYSA-N
MW1033.28 g/mol
LogP18.72
Rot. Bonds10

About 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

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 (PubChem CID 155483068) has the molecular formula C70H48N8S and a molecular weight of 1033.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID155483068
Molecular FormulaC70H48N8S
Molecular Weight1033.28 g/mol
Exact Mass1032.37
IUPAC Name4-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
SMILESCc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c3nsnc3c(N(c3ccc(C)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C70H48N8S/c1-45-31-35-51(36-32-45)75(53-39-41-61-57(43-53)55-27-15-17-29-59(55)77(61)49-23-11-5-12-24-49)69-65-66(72-64(48-21-9-4-10-22-48)63(71-65)47-19-7-3-8-20-47)70(68-67(69)73-79-74-68)76(52-37-33-46(2)34-38-52)54-40-42-62-58(44-54)56-28-16-18-30-60(56)78(62)50-25-13-6-14-26-50/h3-44H,1-2H3
InChIKeyUJULLOLKVYDMDQ-UHFFFAOYSA-N
XLogP18.72
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.28
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

Analyze 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 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
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-(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
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
4-N,9-N-bis[4-(3,6-dicyclohexylcarbazol-9-yl)phenyl]-4-N,9-N,6,7-tetraphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diamine
CID 155483503
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59260015
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,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
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c3nsnc3c(N(c3ccc(C)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1.
What is the InChIKey of 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?
The InChIKey is UJULLOLKVYDMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N8S/c1-45-31-35-51(36-32-45)75(53-39-41-61-57(43-53)55-27-15-17-29-59(55)77(61)49-23-11-5-12-24-49)69-65-66(72-64(48-21-9-4-10-22-48)63(71-65)47-19-7-3-8-20-47)70(68-67(69)73-79-74-68)76(52-37-33-46(2)34-38-52)54-40-42-62-58(44-54)56-28-16-18-30-60(56)78(62)50-25-13-6-14-26-50/h3-44H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1033.28 g/mol, XLogP of 18.72, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155483068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).