N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine

C59H41NS — CID 177128281

IUPACN-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
SMILESCc1cccc2sc3cc(N(c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)ccc3c12
InChIInChI=1S/C59H41NS/c1-40-14-13-23-56-58(40)54-37-34-50(39-57(54)61-56)60(48-30-24-44(25-31-48)53-36-28-43-19-11-12-22-52(43)59(53)46-20-9-4-10-21-46)49-32-26-45(27-33-49)55-38-47(41-15-5-2-6-16-41)29-35-51(55)42-17-7-3-8-18-42/h2-39H,1H3
InChIKeyGUNUWMNYYCICJS-UHFFFAOYSA-N
MW796.05 g/mol
LogP17.32
Rot. Bonds8

About N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine

N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 177128281) has the molecular formula C59H41NS and a molecular weight of 796.05 g/mol. Its IUPAC name is N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
PubChem CID177128281
Molecular FormulaC59H41NS
Molecular Weight796.05 g/mol
Exact Mass795.30
IUPAC NameN-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
SMILESCc1cccc2sc3cc(N(c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)ccc3c12
InChIInChI=1S/C59H41NS/c1-40-14-13-23-56-58(40)54-37-34-50(39-57(54)61-56)60(48-30-24-44(25-31-48)53-36-28-43-19-11-12-22-52(43)59(53)46-20-9-4-10-21-46)49-32-26-45(27-33-49)55-38-47(41-15-5-2-6-16-41)29-35-51(55)42-17-7-3-8-18-42/h2-39H,1H3
InChIKeyGUNUWMNYYCICJS-UHFFFAOYSA-N
XLogP17.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.05
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(9-methyldibenzothiophen-3-yl)-1-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177098553
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 177128411
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
N-(4-dibenzothiophen-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831978
2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527554
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-(2,4-diphenylphenyl)-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177128279
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702
N-(3,4-diphenylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177081062
N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 159197294
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine (CID 177128281) is N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine is Cc1cccc2sc3cc(N(c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)ccc3c12.
What is the InChIKey of N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is GUNUWMNYYCICJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NS/c1-40-14-13-23-56-58(40)54-37-34-50(39-57(54)61-56)60(48-30-24-44(25-31-48)53-36-28-43-19-11-12-22-52(43)59(53)46-20-9-4-10-21-46)49-32-26-45(27-33-49)55-38-47(41-15-5-2-6-16-41)29-35-51(55)42-17-7-3-8-18-42/h2-39H,1H3.
What are the key properties of N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine?
N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 796.05 g/mol, XLogP of 17.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-diphenylphenyl)phenyl]-9-methyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 177128281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).