7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

C189H120N12O2S — CID 165056785

IUPAC7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6n(-c6ccccc6)c54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5sc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/2C63H40N4O.C63H40N4S/c1-6-19-41(20-7-1)45-33-35-48(42-21-8-2-9-22-42)54(39-45)46-34-36-49(55(40-46)63-65-61(43-23-10-3-11-24-43)64-62(66-63)44-25-12-4-13-26-44)51-30-18-32-57-58(51)53-38-37-52-50-29-16-17-31-56(50)67(59(52)60(53)68-57)47-27-14-5-15-28-47;1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)55(38-45)46-31-34-50(56(39-46)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)47-32-35-52-54-37-36-53-51-28-16-17-29-57(51)67(48-26-14-5-15-27-48)59(53)60(54)68-58(52)40-47;1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)54(38-45)47-31-34-50(56(40-47)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)46-32-37-58-55(39-46)53-36-35-52-51-28-16-17-29-57(51)67(59(52)60(53)68-58)48-26-14-5-15-27-48/h3*1-40H
InChIKeyQOCSCYAOHUSQTE-UHFFFAOYSA-N
MW2623.19 g/mol
LogP50.08
Rot. Bonds24

About 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 165056785) has the molecular formula C189H120N12O2S and a molecular weight of 2623.19 g/mol. Its IUPAC name is 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID165056785
Molecular FormulaC189H120N12O2S
Molecular Weight2623.19 g/mol
Exact Mass2620.94
IUPAC Name7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6n(-c6ccccc6)c54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5sc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/2C63H40N4O.C63H40N4S/c1-6-19-41(20-7-1)45-33-35-48(42-21-8-2-9-22-42)54(39-45)46-34-36-49(55(40-46)63-65-61(43-23-10-3-11-24-43)64-62(66-63)44-25-12-4-13-26-44)51-30-18-32-57-58(51)53-38-37-52-50-29-16-17-31-56(50)67(59(52)60(53)68-57)47-27-14-5-15-28-47;1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)55(38-45)46-31-34-50(56(39-46)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)47-32-35-52-54-37-36-53-51-28-16-17-29-57(51)67(48-26-14-5-15-27-48)59(53)60(54)68-58(52)40-47;1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)54(38-45)47-31-34-50(56(40-47)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)46-32-37-58-55(39-46)53-36-35-52-51-28-16-17-29-57(51)67(59(52)60(53)68-58)48-26-14-5-15-27-48/h3*1-40H
InChIKeyQOCSCYAOHUSQTE-UHFFFAOYSA-N
XLogP50.08
TPSA157.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.19
LogP ≤ 550.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

7-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 159802005
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
1-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459573
9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163441133
10-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 153459461
12-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953083
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 162187860
1-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153460080
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163853917
3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 166952314
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 165076268

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 165056785) is 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6n(-c6ccccc6)c54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc5sc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is QOCSCYAOHUSQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H40N4O.C63H40N4S/c1-6-19-41(20-7-1)45-33-35-48(42-21-8-2-9-22-42)54(39-45)46-34-36-49(55(40-46)63-65-61(43-23-10-3-11-24-43)64-62(66-63)44-25-12-4-13-26-44)51-30-18-32-57-58(51)53-38-37-52-50-29-16-17-31-56(50)67(59(52)60(53)68-57)47-27-14-5-15-28-47;1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)55(38-45)46-31-34-50(56(39-46)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)47-32-35-52-54-37-36-53-51-28-16-17-29-57(51)67(48-26-14-5-15-27-48)59(53)60(54)68-58(52)40-47;1-6-18-41(19-7-1)45-30-33-49(42-20-8-2-9-21-42)54(38-45)47-31-34-50(56(40-47)63-65-61(43-22-10-3-11-23-43)64-62(66-63)44-24-12-4-13-25-44)46-32-37-58-55(39-46)53-36-35-52-51-28-16-17-29-57(51)67(59(52)60(53)68-58)48-26-14-5-15-27-48/h3*1-40H.
What are the key properties of 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2623.19 g/mol, XLogP of 50.08, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;9-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;8-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 165056785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).