N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine

C64H44N2S — CID 177098573

IUPACN-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3ccc4c(c3)sc3ccccc34)ccc3ccccc23)cc1
InChIInChI=1S/C64H44N2S/c1-4-15-52(16-5-1)64-58-21-11-10-14-51(58)36-43-61(64)66(57-41-42-60-59-22-12-13-23-62(59)67-63(60)44-57)56-39-34-50(35-40-56)48-30-26-46(27-31-48)45-24-28-47(29-25-45)49-32-37-55(38-33-49)65(53-17-6-2-7-18-53)54-19-8-3-9-20-54/h1-44H
InChIKeyKVOVDZXRDPPQFF-UHFFFAOYSA-N
MW873.14 g/mol
LogP18.82
Rot. Bonds10

About N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine

N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (PubChem CID 177098573) has the molecular formula C64H44N2S and a molecular weight of 873.14 g/mol. Its IUPAC name is N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
PubChem CID177098573
Molecular FormulaC64H44N2S
Molecular Weight873.14 g/mol
Exact Mass872.32
IUPAC NameN-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3ccc4c(c3)sc3ccccc34)ccc3ccccc23)cc1
InChIInChI=1S/C64H44N2S/c1-4-15-52(16-5-1)64-58-21-11-10-14-51(58)36-43-61(64)66(57-41-42-60-59-22-12-13-23-62(59)67-63(60)44-57)56-39-34-50(35-40-56)48-30-26-46(27-31-48)45-24-28-47(29-25-45)49-32-37-55(38-33-49)65(53-17-6-2-7-18-53)54-19-8-3-9-20-54/h1-44H
InChIKeyKVOVDZXRDPPQFF-UHFFFAOYSA-N
XLogP18.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.14
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 156522899
N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 118122758
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 177128411
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
CID 166008457
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404354

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (CID 177098573) is N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is c1ccc(-c2c(N(c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3ccc4c(c3)sc3ccccc34)ccc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The InChIKey is KVOVDZXRDPPQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2S/c1-4-15-52(16-5-1)64-58-21-11-10-14-51(58)36-43-61(64)66(57-41-42-60-59-22-12-13-23-62(59)67-63(60)44-57)56-39-34-50(35-40-56)48-30-26-46(27-31-48)45-24-28-47(29-25-45)49-32-37-55(38-33-49)65(53-17-6-2-7-18-53)54-19-8-3-9-20-54/h1-44H.
What are the key properties of N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine has a molecular weight of 873.14 g/mol, XLogP of 18.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 177098573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).