N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine

C50H31N3OS — CID 166974724

IUPACN-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c4oc5cc6ccccc6cc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N3OS/c1-4-14-32(15-5-1)43-31-44(52-50(51-43)33-16-6-2-7-17-33)36-27-42-41-26-34-18-10-11-19-35(34)29-46(41)54-49(42)45(28-36)53(37-20-8-3-9-21-37)38-24-25-40-39-22-12-13-23-47(39)55-48(40)30-38/h1-31H
InChIKeyZXRMIYRSGGGJJS-UHFFFAOYSA-N
MW721.89 g/mol
LogP14.37
Rot. Bonds6

About N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine

N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 166974724) has the molecular formula C50H31N3OS and a molecular weight of 721.89 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID166974724
Molecular FormulaC50H31N3OS
Molecular Weight721.89 g/mol
Exact Mass721.22
IUPAC NameN-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c4oc5cc6ccccc6cc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N3OS/c1-4-14-32(15-5-1)43-31-44(52-50(51-43)33-16-6-2-7-17-33)36-27-42-41-26-34-18-10-11-19-35(34)29-46(41)54-49(42)45(28-36)53(37-20-8-3-9-21-37)38-24-25-40-39-22-12-13-23-47(39)55-48(40)30-38/h1-31H
InChIKeyZXRMIYRSGGGJJS-UHFFFAOYSA-N
XLogP14.37
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166975065
N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166974751
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 170096072
3-N-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
N,N-diphenyl-4-[2-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]aniline
CID 166974739
5-N-dibenzothiophen-2-yl-19-N-dibenzothiophen-4-yl-5-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,19-diamine
CID 146494364
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
CID 165031168
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
CID 166974736
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496603
N-dibenzothiophen-3-yl-N,18-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-amine
CID 171433463
6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
CID 167208628
N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 171727214

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine (CID 166974724) is N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c4oc5cc6ccccc6cc5c4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is ZXRMIYRSGGGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3OS/c1-4-14-32(15-5-1)43-31-44(52-50(51-43)33-16-6-2-7-17-33)36-27-42-41-26-34-18-10-11-19-35(34)29-46(41)54-49(42)45(28-36)53(37-20-8-3-9-21-37)38-24-25-40-39-22-12-13-23-47(39)55-48(40)30-38/h1-31H.
What are the key properties of N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 721.89 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-2-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 166974724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).