11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline

C118H74N8 — CID 159131369

IUPAC11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7cc8ccccc8c8ccccc78)c6)nc6ccccc6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(-c7ccc8ccc9ccccc9c8c7)c7ccccc67)nc6ccccc6c54)cc3)n2)cc1
InChIInChI=1S/C61H38N4.C57H36N4/c1-3-16-41(17-4-1)55-38-56(42-18-5-2-6-19-42)64-61(63-55)43-31-33-45(34-32-43)65-57-26-14-12-24-52(57)58-59(62-54-25-13-11-23-51(54)60(58)65)50-36-35-47(48-21-9-10-22-49(48)50)44-30-29-40-28-27-39-15-7-8-20-46(39)53(40)37-44;1-3-16-37(17-4-1)51-36-52(60-57(59-51)39-18-5-2-6-19-39)38-30-32-43(33-31-38)61-53-29-14-12-27-48(53)54-55(58-50-28-13-11-26-47(50)56(54)61)42-22-15-21-40(34-42)49-35-41-20-7-8-23-44(41)45-24-9-10-25-46(45)49/h1-38H;1-36H
InChIKeyKGXZWTDWOGAFNN-UHFFFAOYSA-N
MW1603.95 g/mol
LogP30.68
Rot. Bonds12

About 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline

11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline (PubChem CID 159131369) has the molecular formula C118H74N8 and a molecular weight of 1603.95 g/mol. Its IUPAC name is 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline.

Molecular Properties

Compound Name11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline
PubChem CID159131369
Molecular FormulaC118H74N8
Molecular Weight1603.95 g/mol
Exact Mass1602.60
IUPAC Name11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7cc8ccccc8c8ccccc78)c6)nc6ccccc6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(-c7ccc8ccc9ccccc9c8c7)c7ccccc67)nc6ccccc6c54)cc3)n2)cc1
InChIInChI=1S/C61H38N4.C57H36N4/c1-3-16-41(17-4-1)55-38-56(42-18-5-2-6-19-42)64-61(63-55)43-31-33-45(34-32-43)65-57-26-14-12-24-52(57)58-59(62-54-25-13-11-23-51(54)60(58)65)50-36-35-47(48-21-9-10-22-49(48)50)44-30-29-40-28-27-39-15-7-8-20-46(39)53(40)37-44;1-3-16-37(17-4-1)51-36-52(60-57(59-51)39-18-5-2-6-19-39)38-30-32-43(33-31-38)61-53-29-14-12-27-48(53)54-55(58-50-28-13-11-26-47(50)56(54)61)42-22-15-21-40(34-42)49-35-41-20-7-8-23-44(41)45-24-9-10-25-46(45)49/h1-38H;1-36H
InChIKeyKGXZWTDWOGAFNN-UHFFFAOYSA-N
XLogP30.68
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001603.95
LogP ≤ 530.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline with MolForge

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Related Compounds

11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline
CID 146480993
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenanthren-3-ylindolo[3,2-c]quinoline
CID 156551590
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
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
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
6-[4-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 156551663
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
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
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
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenanthren-3-ylindolo[2,3-c]quinoline
CID 156551752
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 156551219

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline?
The IUPAC name of 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline (CID 159131369) is 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline.
What is the SMILES notation for 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline?
The canonical SMILES for 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7cc8ccccc8c8ccccc78)c6)nc6ccccc6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(-c7ccc8ccc9ccccc9c8c7)c7ccccc67)nc6ccccc6c54)cc3)n2)cc1.
What is the InChIKey of 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline?
The InChIKey is KGXZWTDWOGAFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4.C57H36N4/c1-3-16-41(17-4-1)55-38-56(42-18-5-2-6-19-42)64-61(63-55)43-31-33-45(34-32-43)65-57-26-14-12-24-52(57)58-59(62-54-25-13-11-23-51(54)60(58)65)50-36-35-47(48-21-9-10-22-49(48)50)44-30-29-40-28-27-39-15-7-8-20-46(39)53(40)37-44;1-3-16-37(17-4-1)51-36-52(60-57(59-51)39-18-5-2-6-19-39)38-30-32-43(33-31-38)61-53-29-14-12-27-48(53)54-55(58-50-28-13-11-26-47(50)56(54)61)42-22-15-21-40(34-42)49-35-41-20-7-8-23-44(41)45-24-9-10-25-46(45)49/h1-38H;1-36H.
What are the key properties of 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline?
11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline has a molecular weight of 1603.95 g/mol, XLogP of 30.68, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-phenanthren-9-ylphenyl)indolo[3,2-c]quinoline is sourced from PubChem (CID 159131369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).