N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine

C47H30N2OS — CID 167129022

IUPACN-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2cccc(N(c3ccc(-c5ccccc5)c(-c5ccccc5)c3)c3ccc5ccccc5c3)c24)cc1
InChIInChI=1S/C47H30N2OS/c1-4-14-32(15-5-1)38-26-25-37(28-39(38)33-16-6-2-7-17-33)49(36-24-23-31-13-10-11-20-35(31)27-36)42-21-12-22-43-46(42)40-29-41-45(30-44(40)50-43)51-47(48-41)34-18-8-3-9-19-34/h1-30H
InChIKeyIDNTWPRNEXWINI-UHFFFAOYSA-N
MW670.84 g/mol
LogP13.82
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine

N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine (PubChem CID 167129022) has the molecular formula C47H30N2OS and a molecular weight of 670.84 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine
PubChem CID167129022
Molecular FormulaC47H30N2OS
Molecular Weight670.84 g/mol
Exact Mass670.21
IUPAC NameN-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2cccc(N(c3ccc(-c5ccccc5)c(-c5ccccc5)c3)c3ccc5ccccc5c3)c24)cc1
InChIInChI=1S/C47H30N2OS/c1-4-14-32(15-5-1)38-26-25-37(28-39(38)33-16-6-2-7-17-33)49(36-24-23-31-13-10-11-20-35(31)27-36)42-21-12-22-43-46(42)40-29-41-45(30-44(40)50-43)51-47(48-41)34-18-8-3-9-19-34/h1-30H
InChIKeyIDNTWPRNEXWINI-UHFFFAOYSA-N
XLogP13.82
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.84
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127109
N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167129483
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
2-phenyl-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128538
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127132
4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 167130187
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-7-amine
CID 171412044
2-naphthalen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167127873
4-naphthalen-2-yl-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123546
N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 172503017
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127130

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine (CID 167129022) is N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine is c1ccc(-c2nc3cc4c(cc3s2)oc2cccc(N(c3ccc(-c5ccccc5)c(-c5ccccc5)c3)c3ccc5ccccc5c3)c24)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine?
The InChIKey is IDNTWPRNEXWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2OS/c1-4-14-32(15-5-1)38-26-25-37(28-39(38)33-16-6-2-7-17-33)49(36-24-23-31-13-10-11-20-35(31)27-36)42-21-12-22-43-46(42)40-29-41-45(30-44(40)50-43)51-47(48-41)34-18-8-3-9-19-34/h1-30H.
What are the key properties of N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine?
N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine has a molecular weight of 670.84 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine is sourced from PubChem (CID 167129022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).