N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline

C49H32N2OS — CID 167127386

IUPACN,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4cc6nc(-c7ccccc7)sc6cc45)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H32N2OS/c1-5-13-33(14-6-1)34-21-25-40(26-22-34)51(39-19-11-4-12-20-39)45-28-24-37(29-42(45)35-15-7-2-8-16-35)38-23-27-41-43-31-48-44(32-47(43)52-46(41)30-38)50-49(53-48)36-17-9-3-10-18-36/h1-32H
InChIKeySGEZKJSRFQBANM-UHFFFAOYSA-N
MW696.88 g/mol
LogP14.33
Rot. Bonds7

About N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline

N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline (PubChem CID 167127386) has the molecular formula C49H32N2OS and a molecular weight of 696.88 g/mol. Its IUPAC name is N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline
PubChem CID167127386
Molecular FormulaC49H32N2OS
Molecular Weight696.88 g/mol
Exact Mass696.22
IUPAC NameN,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4cc6nc(-c7ccccc7)sc6cc45)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H32N2OS/c1-5-13-33(14-6-1)34-21-25-40(26-22-34)51(39-19-11-4-12-20-39)45-28-24-37(29-42(45)35-15-7-2-8-16-35)38-23-27-41-43-31-48-44(32-47(43)52-46(41)30-38)50-49(53-48)36-17-9-3-10-18-36/h1-32H
InChIKeySGEZKJSRFQBANM-UHFFFAOYSA-N
XLogP14.33
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.88
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-N-[2-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-5-yl)phenyl]dibenzofuran-3-amine
CID 167128455
N-[4-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 163587256
2-phenyl-6-[3-[3-phenyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-1,3-benzothiazole-5-thiol
CID 171455663
N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167129483
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167124248
4-naphthalen-2-yl-N-[4-(2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazol-8-yl)phenyl]-N-phenylaniline
CID 167127075
N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-5-yl)phenyl]aniline
CID 171455636
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-cyclopenta[b]pyran-2-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 170160287
9-N,23-N-bis(2,4-diphenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360309
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128006
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline (CID 167127386) is N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4cc6nc(-c7ccccc7)sc6cc45)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is SGEZKJSRFQBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2OS/c1-5-13-33(14-6-1)34-21-25-40(26-22-34)51(39-19-11-4-12-20-39)45-28-24-37(29-42(45)35-15-7-2-8-16-35)38-23-27-41-43-31-48-44(32-47(43)52-46(41)30-38)50-49(53-48)36-17-9-3-10-18-36/h1-32H.
What are the key properties of N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline?
N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 696.88 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-7-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167127386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).