11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline

C113H71N9 — CID 158557808

IUPAC11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc8ccccc8c7c7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C59H38N4.C54H33N5/c1-4-15-44(16-5-1)52-38-53(62-59(61-52)47-17-6-2-7-18-47)45-32-28-41(29-33-45)39-24-26-40(27-25-39)42-30-34-46(35-31-42)57-56-50-22-12-13-23-54(50)63(48-19-8-3-9-20-48)58(56)55-49-21-11-10-14-43(49)36-37-51(55)60-57;1-3-15-35(16-4-1)52-56-53(58-54(57-52)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)46(43)33-37)36-29-27-34(28-30-36)50-49-45-24-12-14-26-48(45)59(38-17-5-2-6-18-38)51(49)44-23-11-13-25-47(44)55-50/h1-38H;1-33H
InChIKeyHQMUABDNFGVTTM-UHFFFAOYSA-N
MW1554.87 g/mol
LogP28.92
Rot. Bonds12

About 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline

11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline (PubChem CID 158557808) has the molecular formula C113H71N9 and a molecular weight of 1554.87 g/mol. Its IUPAC name is 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline.

Molecular Properties

Compound Name11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline
PubChem CID158557808
Molecular FormulaC113H71N9
Molecular Weight1554.87 g/mol
Exact Mass1553.58
IUPAC Name11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc8ccccc8c7c7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C59H38N4.C54H33N5/c1-4-15-44(16-5-1)52-38-53(62-59(61-52)47-17-6-2-7-18-47)45-32-28-41(29-33-45)39-24-26-40(27-25-39)42-30-34-46(35-31-42)57-56-50-22-12-13-23-54(50)63(48-19-8-3-9-20-48)58(56)55-49-21-11-10-14-43(49)36-37-51(55)60-57;1-3-15-35(16-4-1)52-56-53(58-54(57-52)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)46(43)33-37)36-29-27-34(28-30-36)50-49-45-24-12-14-26-48(45)59(38-17-5-2-6-18-38)51(49)44-23-11-13-25-47(44)55-50/h1-38H;1-33H
InChIKeyHQMUABDNFGVTTM-UHFFFAOYSA-N
XLogP28.92
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001554.87
LogP ≤ 528.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline with MolForge

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Related Compounds

11-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146480756
6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480609
6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480611
6-phenyl-11-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]quinoline;6-phenyl-11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinoline
CID 159724561
6-[4-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 156551663
11-[4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;11-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylindolo[3,2-c]quinoline;methane
CID 158015741
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenanthren-3-ylindolo[3,2-c]quinoline
CID 156551590
7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
CID 156551745
6-[4-[4-[6-[4-[6-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]quinolin-11-yl]phenyl]phenanthren-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[4-[10-[4-[4-phenyl-6-[4-(11-phenylindolo[3,2-c]quinolin-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenanthren-3-yl]phenyl]indolo[3,2-c]quinoline
CID 146481116
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122989
11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline
CID 146480993
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline?
The IUPAC name of 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline (CID 158557808) is 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline.
What is the SMILES notation for 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline?
The canonical SMILES for 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc8ccccc8c7c7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline?
The InChIKey is HQMUABDNFGVTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4.C54H33N5/c1-4-15-44(16-5-1)52-38-53(62-59(61-52)47-17-6-2-7-18-47)45-32-28-41(29-33-45)39-24-26-40(27-25-39)42-30-34-46(35-31-42)57-56-50-22-12-13-23-54(50)63(48-19-8-3-9-20-48)58(56)55-49-21-11-10-14-43(49)36-37-51(55)60-57;1-3-15-35(16-4-1)52-56-53(58-54(57-52)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)46(43)33-37)36-29-27-34(28-30-36)50-49-45-24-12-14-26-48(45)59(38-17-5-2-6-18-38)51(49)44-23-11-13-25-47(44)55-50/h1-38H;1-33H.
What are the key properties of 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline?
11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline has a molecular weight of 1554.87 g/mol, XLogP of 28.92, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-3-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-phenyl-6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]quinoline is sourced from PubChem (CID 158557808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).