N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine

C54H35NS — CID 139297742

IUPACN-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3cccc4sc5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H35NS/c1-3-16-36(17-4-1)38-30-33-50(48(34-38)37-18-5-2-6-19-37)55(51-27-15-29-53-54(51)47-26-13-14-28-52(47)56-53)39-31-32-46-44-24-10-9-22-42(44)40-20-7-8-21-41(40)43-23-11-12-25-45(43)49(46)35-39/h1-35H/b42-40-,43-41-,46-44-,49-45-
InChIKeyQOULSUBFSUJZLC-TUDYZQHSSA-N
MW729.95 g/mol
LogP15.84
Rot. Bonds5

About N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine

N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine (PubChem CID 139297742) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine
PubChem CID139297742
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3cccc4sc5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H35NS/c1-3-16-36(17-4-1)38-30-33-50(48(34-38)37-18-5-2-6-19-37)55(51-27-15-29-53-54(51)47-26-13-14-28-52(47)56-53)39-31-32-46-44-24-10-9-22-42(44)40-20-7-8-21-41(40)43-23-11-12-25-45(43)49(46)35-39/h1-35H/b42-40-,43-41-,46-44-,49-45-
InChIKeyQOULSUBFSUJZLC-TUDYZQHSSA-N
XLogP15.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170126820
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(4-dibenzothiophen-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831978
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 138493702
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine (CID 139297742) is N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3cccc4sc5ccccc5c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine?
The InChIKey is QOULSUBFSUJZLC-TUDYZQHSSA-N. The full InChI is InChI=1S/C54H35NS/c1-3-16-36(17-4-1)38-30-33-50(48(34-38)37-18-5-2-6-19-37)55(51-27-15-29-53-54(51)47-26-13-14-28-52(47)56-53)39-31-32-46-44-24-10-9-22-42(44)40-20-7-8-21-41(40)43-23-11-12-25-45(43)49(46)35-39/h1-35H/b42-40-,43-41-,46-44-,49-45-.
What are the key properties of N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine?
N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine has a molecular weight of 729.95 g/mol, XLogP of 15.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-1-amine is sourced from PubChem (CID 139297742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).