2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine

C51H31N3OS — CID 170201719

IUPAC2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)cc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-12-21-36(28-35)42-29-38(30-43-40-22-10-11-25-46(40)56-48(42)43)39-23-13-24-44-47(39)41-27-26-37(31-45(41)55-44)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H
InChIKeyTZEHPTOKLHBPRU-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.14
Rot. Bonds6

About 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine

2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 170201719) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID170201719
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)cc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-12-21-36(28-35)42-29-38(30-43-40-22-10-11-25-46(40)56-48(42)43)39-23-13-24-44-47(39)41-27-26-37(31-45(41)55-44)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H
InChIKeyTZEHPTOKLHBPRU-UHFFFAOYSA-N
XLogP14.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[9-[2-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201721
2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176773453
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158691647
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-phenyl-4-[6-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200988
2-dibenzofuran-1-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-1,3,5-triazine;2-[2-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 165032547
2-(3-dibenzothiophen-4-ylphenyl)-4-(9-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 139404320

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine (CID 170201719) is 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4cccc5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)cc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is TZEHPTOKLHBPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-4-14-32(15-5-1)35-20-12-21-36(28-35)42-29-38(30-43-40-22-10-11-25-46(40)56-48(42)43)39-23-13-24-44-47(39)41-27-26-37(31-45(41)55-44)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 733.90 g/mol, XLogP of 14.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 170201719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).