5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole

C51H30N4OS — CID 155158734

IUPAC5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-14-31(15-4-1)33-18-13-19-34(30-33)50-52-49(32-16-5-2-6-17-32)53-51(54-50)39-27-29-42(47-45(39)38-22-8-11-24-43(38)56-47)55-40-23-10-7-21-37(40)46-41(55)28-26-36-35-20-9-12-25-44(35)57-48(36)46/h1-30H
InChIKeyDIOZSKXLQZMCNC-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole

5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 155158734) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID155158734
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-14-31(15-4-1)33-18-13-19-34(30-33)50-52-49(32-16-5-2-6-17-32)53-51(54-50)39-27-29-42(47-45(39)38-22-8-11-24-43(38)56-47)55-40-23-10-7-21-37(40)46-41(55)28-26-36-35-20-9-12-25-44(35)57-48(36)46/h1-30H
InChIKeyDIOZSKXLQZMCNC-UHFFFAOYSA-N
XLogP13.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole
CID 146259022
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130231214
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 147409157
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
12-phenyl-5-[1-[4-phenyl-6-[3-[3-[3-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazol-12-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 155158786
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 166496051
2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
CID 155159974
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158544
8-[3-[3-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 159310771
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129224945

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole (CID 155158734) is 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is DIOZSKXLQZMCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-14-31(15-4-1)33-18-13-19-34(30-33)50-52-49(32-16-5-2-6-17-32)53-51(54-50)39-27-29-42(47-45(39)38-22-8-11-24-43(38)56-47)55-40-23-10-7-21-37(40)46-41(55)28-26-36-35-20-9-12-25-44(35)57-48(36)46/h1-30H.
What are the key properties of 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole?
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 746.90 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 155158734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).