5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine

C91H55N7OS — CID 158855685

IUPAC5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)n2)cc1
InChIInChI=1S/C46H27N3O.C45H28N4S/c1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-32-31-17-7-10-20-36(31)46(39(32)27-30)37-21-11-8-19-35(37)41-38(46)26-25-34-33-18-9-12-22-40(33)50-42(34)41;1-3-13-29(14-4-1)31-17-11-19-33(27-31)43-46-44(34-20-12-18-32(28-34)30-15-5-2-6-16-30)48-45(47-43)49-38-23-9-7-22-37(38)41-39(49)26-25-36-35-21-8-10-24-40(35)50-42(36)41/h1-27H;1-28H
InChIKeyJAADCRDKHCMPCO-UHFFFAOYSA-N
MW1294.56 g/mol
LogP23.12
Rot. Bonds8

About 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine

5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine (PubChem CID 158855685) has the molecular formula C91H55N7OS and a molecular weight of 1294.56 g/mol. Its IUPAC name is 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine
PubChem CID158855685
Molecular FormulaC91H55N7OS
Molecular Weight1294.56 g/mol
Exact Mass1293.42
IUPAC Name5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)n2)cc1
InChIInChI=1S/C46H27N3O.C45H28N4S/c1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-32-31-17-7-10-20-36(31)46(39(32)27-30)37-21-11-8-19-35(37)41-38(46)26-25-34-33-18-9-12-22-40(33)50-42(34)41;1-3-13-29(14-4-1)31-17-11-19-33(27-31)43-46-44(34-20-12-18-32(28-34)30-15-5-2-6-16-30)48-45(47-43)49-38-23-9-7-22-37(38)41-39(49)26-25-36-35-21-8-10-24-40(35)50-42(36)41/h1-27H;1-28H
InChIKeyJAADCRDKHCMPCO-UHFFFAOYSA-N
XLogP23.12
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.56
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine with MolForge

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Related Compounds

5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155158734
15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;15-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 159046760
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14,14-diphenyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159474774
3-dibenzofuran-3-yl-5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3-dibenzothiophen-2-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3-(9,9-diphenylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 161433846
7-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[c]carbazole;3-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158126193
9-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-dibenzofuran-1-ylcarbazole;2-dibenzofuran-1-yl-9-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 157243417
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;12-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-23-thia-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 159520742
2-dibenzofuran-3-yl-4-[3-[4-[4-[4-[6'-[4-[4-dibenzothiophen-4-yl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene]-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 155278947
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
2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 170345723

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine?
The IUPAC name of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine (CID 158855685) is 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine.
What is the SMILES notation for 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine?
The canonical SMILES for 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)n2)cc1.
What is the InChIKey of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine?
The InChIKey is JAADCRDKHCMPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O.C45H28N4S/c1-3-13-28(14-4-1)43-47-44(29-15-5-2-6-16-29)49-45(48-43)30-23-24-32-31-17-7-10-20-36(31)46(39(32)27-30)37-21-11-8-19-35(37)41-38(46)26-25-34-33-18-9-12-22-40(33)50-42(34)41;1-3-13-29(14-4-1)31-17-11-19-33(27-31)43-46-44(34-20-12-18-32(28-34)30-15-5-2-6-16-30)48-45(47-43)49-38-23-9-7-22-37(38)41-39(49)26-25-36-35-21-8-10-24-40(35)50-42(36)41/h1-27H;1-28H.
What are the key properties of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine?
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine has a molecular weight of 1294.56 g/mol, XLogP of 23.12, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl-1,3,5-triazine is sourced from PubChem (CID 158855685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).