N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine

C51H35N3S2 — CID 146642704

IUPACN,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2ccc3nc(C(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6nc7ccc(-c8ccccc8)cc7s6)cc5)cc4)sc3c2)cc1
InChIInChI=1S/C51H35N3S2/c1-5-13-35(14-6-1)41-27-31-45-47(33-41)55-50(52-45)49(39-17-9-3-10-18-39)40-23-21-37(22-24-40)38-25-29-44(30-26-38)54(43-19-11-4-12-20-43)51-53-46-32-28-42(34-48(46)56-51)36-15-7-2-8-16-36/h1-34,49H
InChIKeyBCQFBFMVHBPCOF-UHFFFAOYSA-N
MW754.00 g/mol
LogP14.56
Rot. Bonds9

About N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine

N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine (PubChem CID 146642704) has the molecular formula C51H35N3S2 and a molecular weight of 754.00 g/mol. Its IUPAC name is N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine
PubChem CID146642704
Molecular FormulaC51H35N3S2
Molecular Weight754.00 g/mol
Exact Mass753.23
IUPAC NameN,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2ccc3nc(C(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6nc7ccc(-c8ccccc8)cc7s6)cc5)cc4)sc3c2)cc1
InChIInChI=1S/C51H35N3S2/c1-5-13-35(14-6-1)41-27-31-45-47(33-41)55-50(52-45)49(39-17-9-3-10-18-39)40-23-21-37(22-24-40)38-25-29-44(30-26-38)54(43-19-11-4-12-20-43)51-53-46-32-28-42(34-48(46)56-51)36-15-7-2-8-16-36/h1-34,49H
InChIKeyBCQFBFMVHBPCOF-UHFFFAOYSA-N
XLogP14.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.00
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,3-benzothiazol-2-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 166918017
N-[4-[4-[N-(1,3-benzothiazol-2-yl)-4-phenylanilino]phenyl]phenyl]-N-(4-phenylphenyl)-1,3-benzothiazol-2-amine
CID 176587430
4-N-[3-[3-[3-(N-(4-benzhydrylphenyl)anilino)phenyl]-5-phenylphenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 90071775
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
N-(4-chrysen-3-ylphenyl)-N-(4-phenylphenyl)benzo[g][1,3]benzothiazol-2-amine
CID 163515876
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]-1,3-benzothiazol-6-amine
CID 159040137
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
N-[4-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 163587256
N,N-diphenyl-4-[2-[5-[4-(N-phenylanilino)phenyl]-1,3-benzothiazol-2-yl]-1,3-benzothiazol-5-yl]aniline
CID 153182359
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine (CID 146642704) is N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine is c1ccc(-c2ccc3nc(C(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6nc7ccc(-c8ccccc8)cc7s6)cc5)cc4)sc3c2)cc1.
What is the InChIKey of N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is BCQFBFMVHBPCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3S2/c1-5-13-35(14-6-1)41-27-31-45-47(33-41)55-50(52-45)49(39-17-9-3-10-18-39)40-23-21-37(22-24-40)38-25-29-44(30-26-38)54(43-19-11-4-12-20-43)51-53-46-32-28-42(34-48(46)56-51)36-15-7-2-8-16-36/h1-34,49H.
What are the key properties of N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine?
N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 754.00 g/mol, XLogP of 14.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-N-[4-[4-[phenyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]phenyl]phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 146642704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).