3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine

C72H54N4OS — CID 164832877

IUPAC3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(Oc2cc(Sc3cccc(N(c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C72H54N4OS/c1-9-28-55(29-10-1)71-46-25-26-47-72(71)76(65-49-63(73(56-30-11-2-12-31-56)57-32-13-3-14-33-57)48-64(50-65)74(58-34-15-4-16-35-58)59-36-17-5-18-37-59)62-42-27-45-69(52-62)78-70-53-66(51-68(54-70)77-67-43-23-8-24-44-67)75(60-38-19-6-20-39-60)61-40-21-7-22-41-61/h1-54H
InChIKeyUWAVKZVUKQWOEO-UHFFFAOYSA-N
MW1023.32 g/mol
LogP21.18
Rot. Bonds17

About 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine

3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine (PubChem CID 164832877) has the molecular formula C72H54N4OS and a molecular weight of 1023.32 g/mol. Its IUPAC name is 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
PubChem CID164832877
Molecular FormulaC72H54N4OS
Molecular Weight1023.32 g/mol
Exact Mass1022.40
IUPAC Name3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(Oc2cc(Sc3cccc(N(c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C72H54N4OS/c1-9-28-55(29-10-1)71-46-25-26-47-72(71)76(65-49-63(73(56-30-11-2-12-31-56)57-32-13-3-14-33-57)48-64(50-65)74(58-34-15-4-16-35-58)59-36-17-5-18-37-59)62-42-27-45-69(52-62)78-70-53-66(51-68(54-70)77-67-43-23-8-24-44-67)75(60-38-19-6-20-39-60)61-40-21-7-22-41-61/h1-54H
InChIKeyUWAVKZVUKQWOEO-UHFFFAOYSA-N
XLogP21.18
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.32
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine with MolForge

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Related Compounds

3-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)phenoxy]phenyl]-3-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 164937869
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
3,5-diphenoxy-N,N-diphenylaniline
CID 158962448
5-(3-bromophenoxy)-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 164937868
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 58903662
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 166011294
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 163365338
3-N-[3-[3-[N-(1-benzothiophen-3-yl)anilino]-5-(N-phenylanilino)phenoxy]phenyl]-5-[1-benzothiophen-3-yl(phenyl)methyl]-3-N-(2,6-diphenylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 164791884
5-chloro-1-N,1-N-diphenyl-3-N-(2-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 164738275
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine?
The IUPAC name of 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine (CID 164832877) is 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine?
The canonical SMILES for 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine is c1ccc(Oc2cc(Sc3cccc(N(c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine?
The InChIKey is UWAVKZVUKQWOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N4OS/c1-9-28-55(29-10-1)71-46-25-26-47-72(71)76(65-49-63(73(56-30-11-2-12-31-56)57-32-13-3-14-33-57)48-64(50-65)74(58-34-15-4-16-35-58)59-36-17-5-18-37-59)62-42-27-45-69(52-62)78-70-53-66(51-68(54-70)77-67-43-23-8-24-44-67)75(60-38-19-6-20-39-60)61-40-21-7-22-41-61/h1-54H.
What are the key properties of 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine?
3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine has a molecular weight of 1023.32 g/mol, XLogP of 21.18, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-[3-phenoxy-5-(N-phenylanilino)phenyl]sulfanylphenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 164832877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).