4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine

C58H36N2S — CID 176609982

IUPAC4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
SMILESc1cc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cc4ccccc4c4ccccc34)c3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2S/c1-3-20-41-38(16-1)35-54(46-24-7-5-22-44(41)46)60(55-36-39-17-2-4-21-42(39)45-23-6-8-25-47(45)55)53-33-32-43(58-57(53)50-28-11-14-31-56(50)61-58)37-18-15-19-40(34-37)59-51-29-12-9-26-48(51)49-27-10-13-30-52(49)59/h1-36H
InChIKeyJAKWHTHKCITWQB-UHFFFAOYSA-N
MW793.01 g/mol
LogP16.90
Rot. Bonds5

About 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine

4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine (PubChem CID 176609982) has the molecular formula C58H36N2S and a molecular weight of 793.01 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
PubChem CID176609982
Molecular FormulaC58H36N2S
Molecular Weight793.01 g/mol
Exact Mass792.26
IUPAC Name4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
SMILESc1cc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cc4ccccc4c4ccccc34)c3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2S/c1-3-20-41-38(16-1)35-54(46-24-7-5-22-44(41)46)60(55-36-39-17-2-4-21-42(39)45-23-6-8-25-47(45)55)53-33-32-43(58-57(53)50-28-11-14-31-56(50)61-58)37-18-15-19-40(34-37)59-51-29-12-9-26-48(51)49-27-10-13-30-52(49)59/h1-36H
InChIKeyJAKWHTHKCITWQB-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

4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176610076
4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176609909
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176607775
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 176608215
4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine
CID 176608227
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine
CID 176608105
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 167378774

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine (CID 176609982) is 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine is c1cc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cc4ccccc4c4ccccc34)c3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine?
The InChIKey is JAKWHTHKCITWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2S/c1-3-20-41-38(16-1)35-54(46-24-7-5-22-44(41)46)60(55-36-39-17-2-4-21-42(39)45-23-6-8-25-47(45)55)53-33-32-43(58-57(53)50-28-11-14-31-56(50)61-58)37-18-15-19-40(34-37)59-51-29-12-9-26-48(51)49-27-10-13-30-52(49)59/h1-36H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine?
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-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 4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 176609982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).