2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine

C57H37N3OS — CID 171747492

IUPAC2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3c3sc(-c5cccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)c5)nc43)cc2)cc1
InChIInChI=1S/C57H37N3OS/c1-4-15-38(16-5-1)39-27-29-43(30-28-39)59(41-18-6-2-7-19-41)45-31-33-49-51(36-45)47-23-10-11-25-50(47)56-55(49)58-57(62-56)40-17-14-22-44(35-40)60(42-20-8-3-9-21-42)46-32-34-54-52(37-46)48-24-12-13-26-53(48)61-54/h1-37H
InChIKeyLTZWXEIPYLRIEW-UHFFFAOYSA-N
MW812.01 g/mol
LogP16.78
Rot. Bonds8

About 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine

2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine (PubChem CID 171747492) has the molecular formula C57H37N3OS and a molecular weight of 812.01 g/mol. Its IUPAC name is 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine.

Molecular Properties

Compound Name2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine
PubChem CID171747492
Molecular FormulaC57H37N3OS
Molecular Weight812.01 g/mol
Exact Mass811.27
IUPAC Name2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3c3sc(-c5cccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)c5)nc43)cc2)cc1
InChIInChI=1S/C57H37N3OS/c1-4-15-38(16-5-1)39-27-29-43(30-28-39)59(41-18-6-2-7-19-41)45-31-33-49-51(36-45)47-23-10-11-25-50(47)56-55(49)58-57(62-56)40-17-14-22-44(35-40)60(42-20-8-3-9-21-42)46-32-34-54-52(37-46)48-24-12-13-26-53(48)61-54/h1-37H
InChIKeyLTZWXEIPYLRIEW-UHFFFAOYSA-N
XLogP16.78
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.01
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
CID 171747668
3-[2-dibenzofuran-2-yl-9-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-yl]-N,N-diphenylaniline
CID 171747596
N-phenyl-N-(4-phenylphenyl)-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747548
N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747395
N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
CID 163891092
N-(3-phenanthro[9,10-d][1,3]thiazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747612
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
4-[4,7-bis(4-dibenzofuran-2-ylphenyl)-1,3-benzothiazol-2-yl]-N,N-diphenylaniline
CID 121425802
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-yl)dibenzofuran-2-amine
CID 130465348
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 167124156

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine?
The IUPAC name of 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine (CID 171747492) is 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine.
What is the SMILES notation for 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine?
The canonical SMILES for 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3c3sc(-c5cccc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)c5)nc43)cc2)cc1.
What is the InChIKey of 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine?
The InChIKey is LTZWXEIPYLRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3OS/c1-4-15-38(16-5-1)39-27-29-43(30-28-39)59(41-18-6-2-7-19-41)45-31-33-49-51(36-45)47-23-10-11-25-50(47)56-55(49)58-57(62-56)40-17-14-22-44(35-40)60(42-20-8-3-9-21-42)46-32-34-54-52(37-46)48-24-12-13-26-53(48)61-54/h1-37H.
What are the key properties of 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine?
2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine has a molecular weight of 812.01 g/mol, XLogP of 16.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine is sourced from PubChem (CID 171747492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).