11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole

C120H72N10O3 — CID 162114119

IUPAC11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3OC2C(n2c3ccccc3c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)ccc32)=C1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc%10oc%11ccccc%11c%10cc98)ccc76)cc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C63H37N5O.C57H35N5O2/c1-3-15-38(16-4-1)61-64-62(39-17-5-2-6-18-39)66-63(65-61)40-27-30-45-46-31-28-41(34-51(46)44-20-8-7-19-43(44)50(45)33-40)67-55-24-12-9-21-47(55)52-35-42(29-32-57(52)67)68-56-25-13-10-22-48(56)53-37-60-54(36-58(53)68)49-23-11-14-26-59(49)69-60;1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)42-24-13-22-40-41-23-14-27-49(54(41)64-53(40)42)62-47-26-11-8-19-37(47)43-31-36(29-30-48(43)62)61-46-25-10-7-20-38(46)44-33-52-45(32-50(44)61)39-21-9-12-28-51(39)63-52/h1-37H;1-33,41,54H
InChIKeyZGNRPJYCMCOOMB-UHFFFAOYSA-N
MW1701.96 g/mol
LogP30.36
Rot. Bonds10

About 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole

11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 162114119) has the molecular formula C120H72N10O3 and a molecular weight of 1701.96 g/mol. Its IUPAC name is 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID162114119
Molecular FormulaC120H72N10O3
Molecular Weight1701.96 g/mol
Exact Mass1700.58
IUPAC Name11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3OC2C(n2c3ccccc3c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)ccc32)=C1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc%10oc%11ccccc%11c%10cc98)ccc76)cc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C63H37N5O.C57H35N5O2/c1-3-15-38(16-4-1)61-64-62(39-17-5-2-6-18-39)66-63(65-61)40-27-30-45-46-31-28-41(34-51(46)44-20-8-7-19-43(44)50(45)33-40)67-55-24-12-9-21-47(55)52-35-42(29-32-57(52)67)68-56-25-13-10-22-48(56)53-37-60-54(36-58(53)68)49-23-11-14-26-59(49)69-60;1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)42-24-13-22-40-41-23-14-27-49(54(41)64-53(40)42)62-47-26-11-8-19-37(47)43-31-36(29-30-48(43)62)61-46-25-10-7-20-38(46)44-33-52-45(32-50(44)61)39-21-9-12-28-51(39)63-52/h1-37H;1-33,41,54H
InChIKeyZGNRPJYCMCOOMB-UHFFFAOYSA-N
XLogP30.36
TPSA132.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.96
LogP ≤ 530.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
CID 129190405
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430334
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 166962097
3-dibenzofuran-2-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-phenylcarbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,7-diphenylcarbazole;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-phenylcarbazole
CID 159615969
9-(6-dibenzofuran-4-yl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
CID 155160118
3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161261635
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334

Frequently Asked Questions

What is the IUPAC name of 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole (CID 162114119) is 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole is C1=CC2c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3OC2C(n2c3ccccc3c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)ccc32)=C1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc%10oc%11ccccc%11c%10cc98)ccc76)cc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is ZGNRPJYCMCOOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O.C57H35N5O2/c1-3-15-38(16-4-1)61-64-62(39-17-5-2-6-18-39)66-63(65-61)40-27-30-45-46-31-28-41(34-51(46)44-20-8-7-19-43(44)50(45)33-40)67-55-24-12-9-21-47(55)52-35-42(29-32-57(52)67)68-56-25-13-10-22-48(56)53-37-60-54(36-58(53)68)49-23-11-14-26-59(49)69-60;1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)42-24-13-22-40-41-23-14-27-49(54(41)64-53(40)42)62-47-26-11-8-19-37(47)43-31-36(29-30-48(43)62)61-46-25-10-7-20-38(46)44-33-52-45(32-50(44)61)39-21-9-12-28-51(39)63-52/h1-37H;1-33,41,54H.
What are the key properties of 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1701.96 g/mol, XLogP of 30.36, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9b-dihydrodibenzofuran-4-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole;11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 162114119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).