N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine

C78H49N3S — CID 89491964

IUPACN-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)cc4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C78H49N3S/c1-4-17-50(18-5-1)53-33-41-71-67(45-53)68-46-54(51-19-6-2-7-20-51)34-42-72(68)81(71)59-39-44-74-70(49-59)69-47-55(35-43-73(69)80(74)58-38-40-64-62-25-11-10-23-60(62)61-24-12-13-26-63(61)66(64)48-58)52-31-36-57(37-32-52)79(56-21-8-3-9-22-56)75-28-16-30-77-78(75)65-27-14-15-29-76(65)82-77/h1-49H
InChIKeyYFYOGEFLGOCQET-UHFFFAOYSA-N
MW1060.34 g/mol
LogP22.18
Rot. Bonds8

About N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine

N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine (PubChem CID 89491964) has the molecular formula C78H49N3S and a molecular weight of 1060.34 g/mol. Its IUPAC name is N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
PubChem CID89491964
Molecular FormulaC78H49N3S
Molecular Weight1060.34 g/mol
Exact Mass1059.36
IUPAC NameN-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)cc4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C78H49N3S/c1-4-17-50(18-5-1)53-33-41-71-67(45-53)68-46-54(51-19-6-2-7-20-51)34-42-72(68)81(71)59-39-44-74-70(49-59)69-47-55(35-43-73(69)80(74)58-38-40-64-62-25-11-10-23-60(62)61-24-12-13-26-63(61)66(64)48-58)52-31-36-57(37-32-52)79(56-21-8-3-9-22-56)75-28-16-30-77-78(75)65-27-14-15-29-76(65)82-77/h1-49H
InChIKeyYFYOGEFLGOCQET-UHFFFAOYSA-N
XLogP22.18
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.34
LogP ≤ 522.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-naphthalen-1-yl-9-triphenylen-2-ylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-1-amine
CID 89492267
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
N-[4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491968
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 90372072
4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 89491937
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 89492179
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine (CID 89491964) is N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5cccc6sc7ccccc7c56)cc4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine?
The InChIKey is YFYOGEFLGOCQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H49N3S/c1-4-17-50(18-5-1)53-33-41-71-67(45-53)68-46-54(51-19-6-2-7-20-51)34-42-72(68)81(71)59-39-44-74-70(49-59)69-47-55(35-43-73(69)80(74)58-38-40-64-62-25-11-10-23-60(62)61-24-12-13-26-63(61)66(64)48-58)52-31-36-57(37-32-52)79(56-21-8-3-9-22-56)75-28-16-30-77-78(75)65-27-14-15-29-76(65)82-77/h1-49H.
What are the key properties of N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine?
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine has a molecular weight of 1060.34 g/mol, XLogP of 22.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 89491964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).