N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine

C58H36N2S — CID 90321241

IUPACN-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc2c1
InChIInChI=1S/C58H36N2S/c1-2-14-43-38(12-1)13-11-22-54(43)59(41-29-31-48-46-17-4-3-15-44(46)45-16-5-6-18-47(45)51(48)35-41)40-27-24-37(25-28-40)39-26-32-56-52(34-39)49-19-7-9-21-55(49)60(56)42-30-33-58-53(36-42)50-20-8-10-23-57(50)61-58/h1-36H
InChIKeyCXFSWELMVSDRGM-UHFFFAOYSA-N
MW793.01 g/mol
LogP16.90
Rot. Bonds5

About N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine

N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine (PubChem CID 90321241) has the molecular formula C58H36N2S and a molecular weight of 793.01 g/mol. Its IUPAC name is N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine.

Molecular Properties

Compound NameN-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
PubChem CID90321241
Molecular FormulaC58H36N2S
Molecular Weight793.01 g/mol
Exact Mass792.26
IUPAC NameN-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
SMILESc1ccc2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc2c1
InChIInChI=1S/C58H36N2S/c1-2-14-43-38(12-1)13-11-22-54(43)59(41-29-31-48-46-17-4-3-15-44(46)45-16-5-6-18-47(45)51(48)35-41)40-27-24-37(25-28-40)39-26-32-56-52(34-39)49-19-7-9-21-55(49)60(56)42-30-33-58-53(36-42)50-20-8-10-23-57(50)61-58/h1-36H
InChIKeyCXFSWELMVSDRGM-UHFFFAOYSA-N
XLogP16.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.01
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
CID 163770597
6-[4-(N-naphthalen-1-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)-9-triphenylen-2-ylcarbazol-3-amine
CID 89492179
CID 159434738
CID 159434738
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N-[4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 89492158
6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 88898926
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
CID 90372254
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
4-[6-(4-dibenzothiophen-2-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 89491937

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine?
The IUPAC name of N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine (CID 90321241) is N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine.
What is the SMILES notation for N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine?
The canonical SMILES for N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine is c1ccc2c(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc2c1.
What is the InChIKey of N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine?
The InChIKey is CXFSWELMVSDRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S/c1-2-14-43-38(12-1)13-11-22-54(43)59(41-29-31-48-46-17-4-3-15-44(46)45-16-5-6-18-47(45)51(48)35-41)40-27-24-37(25-28-40)39-26-32-56-52(34-39)49-19-7-9-21-55(49)60(56)42-30-33-58-53(36-42)50-20-8-10-23-57(50)61-58/h1-36H.
What are the key properties of N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine?
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine has a molecular weight of 793.01 g/mol, XLogP of 16.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine is sourced from PubChem (CID 90321241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).