1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane

C181H117N15O3 — CID 159204843

IUPAC1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane
SMILESC.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4ccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4cccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/2C62H39N5O.C56H35N5O.CH4/c1-6-19-40(20-7-1)44-35-45(41-21-8-2-9-22-41)37-46(36-44)47-38-52(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)58(63-39-47)51-30-18-32-54-56(51)57-55(68-54)34-33-50-49-29-16-17-31-53(49)67(59(50)57)48-27-14-5-15-28-48;1-6-18-40(19-7-1)45-34-46(41-20-8-2-9-21-41)36-47(35-45)48-38-53(62-65-60(42-22-10-3-11-23-42)64-61(66-62)43-24-12-4-13-25-43)58(63-39-48)44-30-32-55-52(37-44)57-56(68-55)33-31-51-50-28-16-17-29-54(50)67(59(51)57)49-26-14-5-15-27-49;1-5-17-36(18-6-1)39-23-15-24-40(33-39)41-34-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)51(57-35-41)46-29-16-28-43-44-31-32-49-50(53(44)62-52(43)46)45-27-13-14-30-48(45)61(49)42-25-11-4-12-26-42;/h2*1-39H;1-35H;1H4
InChIKeyKPTBLJLTJNEUSH-UHFFFAOYSA-N
MW2550.03 g/mol
LogP46.77
Rot. Bonds23

About 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane

1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane (PubChem CID 159204843) has the molecular formula C181H117N15O3 and a molecular weight of 2550.03 g/mol. Its IUPAC name is 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane.

Molecular Properties

Compound Name1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane
PubChem CID159204843
Molecular FormulaC181H117N15O3
Molecular Weight2550.03 g/mol
Exact Mass2547.95
IUPAC Name1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane
SMILESC.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4ccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4cccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/2C62H39N5O.C56H35N5O.CH4/c1-6-19-40(20-7-1)44-35-45(41-21-8-2-9-22-41)37-46(36-44)47-38-52(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)58(63-39-47)51-30-18-32-54-56(51)57-55(68-54)34-33-50-49-29-16-17-31-53(49)67(59(50)57)48-27-14-5-15-28-48;1-6-18-40(19-7-1)45-34-46(41-20-8-2-9-21-41)36-47(35-45)48-38-53(62-65-60(42-22-10-3-11-23-42)64-61(66-62)43-24-12-4-13-25-43)58(63-39-48)44-30-32-55-52(37-44)57-56(68-55)33-31-51-50-28-16-17-29-54(50)67(59(51)57)49-26-14-5-15-27-49;1-5-17-36(18-6-1)39-23-15-24-40(33-39)41-34-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)51(57-35-41)46-29-16-28-43-44-31-32-49-50(53(44)62-52(43)46)45-27-13-14-30-48(45)61(49)42-25-11-4-12-26-42;/h2*1-39H;1-35H;1H4
InChIKeyKPTBLJLTJNEUSH-UHFFFAOYSA-N
XLogP46.77
TPSA208.89 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002550.03
LogP ≤ 546.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane with MolForge

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Related Compounds

1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 157459189
1-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459923
3-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153460262
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 165054269
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenyl-[1]benzofuro[3,2-a]carbazol-1-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 157438101
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153459518
11-[5-(2,6-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459883
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153459567
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153460342
1-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 161039820
2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 153460408
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane?
The IUPAC name of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane (CID 159204843) is 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane.
What is the SMILES notation for 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane?
The canonical SMILES for 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane is C.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4ccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c5c4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-c4cccc5oc6ccc7c8ccccc8n(-c8ccccc8)c7c6c45)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cnc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane?
The InChIKey is KPTBLJLTJNEUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H39N5O.C56H35N5O.CH4/c1-6-19-40(20-7-1)44-35-45(41-21-8-2-9-22-41)37-46(36-44)47-38-52(62-65-60(42-23-10-3-11-24-42)64-61(66-62)43-25-12-4-13-26-43)58(63-39-47)51-30-18-32-54-56(51)57-55(68-54)34-33-50-49-29-16-17-31-53(49)67(59(50)57)48-27-14-5-15-28-48;1-6-18-40(19-7-1)45-34-46(41-20-8-2-9-21-41)36-47(35-45)48-38-53(62-65-60(42-22-10-3-11-23-42)64-61(66-62)43-24-12-4-13-25-43)58(63-39-48)44-30-32-55-52(37-44)57-56(68-55)33-31-51-50-28-16-17-29-54(50)67(59(51)57)49-26-14-5-15-27-49;1-5-17-36(18-6-1)39-23-15-24-40(33-39)41-34-47(56-59-54(37-19-7-2-8-20-37)58-55(60-56)38-21-9-3-10-22-38)51(57-35-41)46-29-16-28-43-44-31-32-49-50(53(44)62-52(43)46)45-27-13-14-30-48(45)61(49)42-25-11-4-12-26-42;/h2*1-39H;1-35H;1H4.
What are the key properties of 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane?
1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane has a molecular weight of 2550.03 g/mol, XLogP of 46.77, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;methane is sourced from PubChem (CID 159204843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).