1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

C51H30N4OS — CID 163663560

IUPAC1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)n3)cc2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)49-52-50(34-26-27-47-40(28-34)37-17-8-10-21-46(37)57-47)54-51(53-49)38-18-11-20-44-48(38)41-29-43-39(30-45(41)56-44)36-16-7-9-19-42(36)55(43)35-14-5-2-6-15-35/h1-30H
InChIKeyZGOLHLHDHSUFIR-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 163663560) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID163663560
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)n3)cc2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)49-52-50(34-26-27-47-40(28-34)37-17-8-10-21-46(37)57-47)54-51(53-49)38-18-11-20-44-48(38)41-29-43-39(30-45(41)56-44)36-16-7-9-19-42(36)55(43)35-14-5-2-6-15-35/h1-30H
InChIKeyZGOLHLHDHSUFIR-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

4-(3-Dibenzofuran-2-yl-5-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 129085984
6-[3-Dibenzothiophen-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129086025
5-[8-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-11-phenylbenzo[a]carbazole
CID 129126276
4-Dibenzofuran-2-yl-2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129224921
4-(4-Phenylphenyl)-2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129225000
4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
CID 129225547
4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole
CID 129225641
2-([1]Benzothiolo[2,3-b]carbazol-7-yl)-4-[4-methyl-3-(2-phenoxyphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 129234972
Triphenyl-[11-[4-(4-phenyl-6,7-dihydroquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazol-8-yl]-lambda4-sulfane
CID 129238885
12-(4-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 129290134
3-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(2-phenylphenyl)carbazole
CID 129292073
15-(2-Dibenzofuran-2-ylcarbazol-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297221

Frequently Asked Questions

What is the IUPAC name of 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 163663560) is 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4cccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)n3)cc2)cc1.
What is the InChIKey of 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is ZGOLHLHDHSUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)32-22-24-33(25-23-32)49-52-50(34-26-27-47-40(28-34)37-17-8-10-21-46(37)57-47)54-51(53-49)38-18-11-20-44-48(38)41-29-43-39(30-45(41)56-44)36-16-7-9-19-42(36)55(43)35-14-5-2-6-15-35/h1-30H.
What are the key properties of 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]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 1-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163663560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).