N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine

C53H34N2OS — CID 171410312

IUPACN-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4ccc5ccc(-c6cccc(N(c7cccc(-c8ccccc8)c7)c7cccc8sc9ccccc9c78)c6)cc5c4o3)cc2)cc1
InChIInChI=1S/C53H34N2OS/c1-3-12-35(13-4-1)37-24-27-39(28-25-37)53-54-47-31-30-38-26-29-42(34-46(38)52(47)56-53)41-17-10-19-44(33-41)55(43-18-9-16-40(32-43)36-14-5-2-6-15-36)48-21-11-23-50-51(48)45-20-7-8-22-49(45)57-50/h1-34H
InChIKeyQSFSIYMJTZKRJZ-UHFFFAOYSA-N
MW746.94 g/mol
LogP15.49
Rot. Bonds7

About N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine

N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine (PubChem CID 171410312) has the molecular formula C53H34N2OS and a molecular weight of 746.94 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine
PubChem CID171410312
Molecular FormulaC53H34N2OS
Molecular Weight746.94 g/mol
Exact Mass746.24
IUPAC NameN-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4ccc5ccc(-c6cccc(N(c7cccc(-c8ccccc8)c7)c7cccc8sc9ccccc9c78)c6)cc5c4o3)cc2)cc1
InChIInChI=1S/C53H34N2OS/c1-3-12-35(13-4-1)37-24-27-39(28-25-37)53-54-47-31-30-38-26-29-42(34-46(38)52(47)56-53)41-17-10-19-44(33-41)55(43-18-9-16-40(32-43)36-14-5-2-6-15-36)48-21-11-23-50-51(48)45-20-7-8-22-49(45)57-50/h1-34H
InChIKeyQSFSIYMJTZKRJZ-UHFFFAOYSA-N
XLogP15.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.94
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631441
3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124820
N-dibenzothiophen-3-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 171607668
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174324049
N-[3-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-8-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 171410352
N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine
CID 171410430
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[3,2-f][1,3]benzoxazol-5-amine
CID 171455608
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine (CID 171410312) is N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3nc4ccc5ccc(-c6cccc(N(c7cccc(-c8ccccc8)c7)c7cccc8sc9ccccc9c78)c6)cc5c4o3)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine?
The InChIKey is QSFSIYMJTZKRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2OS/c1-3-12-35(13-4-1)37-24-27-39(28-25-37)53-54-47-31-30-38-26-29-42(34-46(38)52(47)56-53)41-17-10-19-44(33-41)55(43-18-9-16-40(32-43)36-14-5-2-6-15-36)48-21-11-23-50-51(48)45-20-7-8-22-49(45)57-50/h1-34H.
What are the key properties of N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine?
N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine has a molecular weight of 746.94 g/mol, XLogP of 15.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 171410312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).