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

C58H36N2S — CID 88898926

IUPACN-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc7sc8ccccc8c7c6)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1
InChIInChI=1S/C58H36N2S/c1-2-14-43-38(12-1)13-11-22-54(43)60-55-21-9-7-19-49(55)52-34-39(26-32-56(52)60)37-24-27-40(28-25-37)59(42-30-33-58-53(36-42)50-20-8-10-23-57(50)61-58)41-29-31-48-46-17-4-3-15-44(46)45-16-5-6-18-47(45)51(48)35-41/h1-36H
InChIKeyZIYJBOPPGHKVHE-UHFFFAOYSA-N
MW793.01 g/mol
LogP16.90
Rot. Bonds5

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

N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine (PubChem CID 88898926) has the molecular formula C58H36N2S and a molecular weight of 793.01 g/mol. Its IUPAC name is N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
PubChem CID88898926
Molecular FormulaC58H36N2S
Molecular Weight793.01 g/mol
Exact Mass792.26
IUPAC NameN-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc7sc8ccccc8c7c6)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1
InChIInChI=1S/C58H36N2S/c1-2-14-43-38(12-1)13-11-22-54(43)60-55-21-9-7-19-49(55)52-34-39(26-32-56(52)60)37-24-27-40(28-25-37)59(42-30-33-58-53(36-42)50-20-8-10-23-57(50)61-58)41-29-31-48-46-17-4-3-15-44(46)45-16-5-6-18-47(45)51(48)35-41/h1-36H
InChIKeyZIYJBOPPGHKVHE-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-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
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-phenylphenyl)-N-[4-(9-triphenylen-2-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 89492006
9-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-(6-phenylnaphthalen-2-yl)carbazol-3-amine
CID 166997394
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 88898950
3-N-dibenzothiophen-2-yl-3-N-[3-[9-phenanthren-9-yl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 147950508
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 159567420
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine (CID 88898926) is N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine is c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc7sc8ccccc8c7c6)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)ccc43)cccc2c1.
What is the InChIKey of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
The InChIKey is ZIYJBOPPGHKVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S/c1-2-14-43-38(12-1)13-11-22-54(43)60-55-21-9-7-19-49(55)52-34-39(26-32-56(52)60)37-24-27-40(28-25-37)59(42-30-33-58-53(36-42)50-20-8-10-23-57(50)61-58)41-29-31-48-46-17-4-3-15-44(46)45-16-5-6-18-47(45)51(48)35-41/h1-36H.
What are the key properties of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine?
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-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-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 88898926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).