N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine

C38H23N3OS — CID 159617769

IUPACN-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccc4oc5cc(Nc6cccc7c6sc6ccccc67)ccc5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3OS/c1-2-9-23(10-3-1)36-29-12-4-6-14-31(29)40-38(41-36)24-17-20-33-30(21-24)26-19-18-25(22-34(26)42-33)39-32-15-8-13-28-27-11-5-7-16-35(27)43-37(28)32/h1-22,39H
InChIKeyYSXMBPTUOQQJED-UHFFFAOYSA-N
MW569.69 g/mol
LogP10.97
Rot. Bonds4

About N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine

N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine (PubChem CID 159617769) has the molecular formula C38H23N3OS and a molecular weight of 569.69 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
PubChem CID159617769
Molecular FormulaC38H23N3OS
Molecular Weight569.69 g/mol
Exact Mass569.16
IUPAC NameN-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccc4oc5cc(Nc6cccc7c6sc6ccccc67)ccc5c4c3)nc3ccccc23)cc1
InChIInChI=1S/C38H23N3OS/c1-2-9-23(10-3-1)36-29-12-4-6-14-31(29)40-38(41-36)24-17-20-33-30(21-24)26-19-18-25(22-34(26)42-33)39-32-15-8-13-28-27-11-5-7-16-35(27)43-37(28)32/h1-22,39H
InChIKeyYSXMBPTUOQQJED-UHFFFAOYSA-N
XLogP10.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.69
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
4-phenyl-2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 155050497
2-[8-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192356
2-dibenzothiophen-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407726
14-[3-(4-phenylquinazolin-2-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123859
7-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009762
2-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978767
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844
4-phenyl-2-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)quinazoline
CID 147261870
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine (CID 159617769) is N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine is c1ccc(-c2nc(-c3ccc4oc5cc(Nc6cccc7c6sc6ccccc67)ccc5c4c3)nc3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
The InChIKey is YSXMBPTUOQQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3OS/c1-2-9-23(10-3-1)36-29-12-4-6-14-31(29)40-38(41-36)24-17-20-33-30(21-24)26-19-18-25(22-34(26)42-33)39-32-15-8-13-28-27-11-5-7-16-35(27)43-37(28)32/h1-22,39H.
What are the key properties of N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine?
N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine has a molecular weight of 569.69 g/mol, XLogP of 10.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 159617769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).