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

C123H87N9 — CID 158015741

IUPAC11-[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
SMILESC.C.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c(-c8ccccc8)nc8ccccc8c76)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c(-c8ccccc8)nc8ccccc8c76)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C61H40N4.C60H39N5.2CH4/c1-4-14-41(15-5-1)43-24-30-47(31-25-43)55-40-56(48-32-26-44(27-33-48)42-16-6-2-7-17-42)64-61(63-55)50-34-28-45(29-35-50)46-36-38-51(39-37-46)65-57-23-13-11-21-53(57)58-59(49-18-8-3-9-19-49)62-54-22-12-10-20-52(54)60(58)65;1-4-14-40(15-5-1)42-24-30-47(31-25-42)58-62-59(48-32-26-43(27-33-48)41-16-6-2-7-17-41)64-60(63-58)49-34-28-44(29-35-49)45-36-38-50(39-37-45)65-54-23-13-11-21-52(54)55-56(46-18-8-3-9-19-46)61-53-22-12-10-20-51(53)57(55)65;;/h1-40H;1-39H;2*1H4
InChIKeyFFKZGXSNHPCPOU-UHFFFAOYSA-N
MW1691.11 g/mol
LogP32.25
Rot. Bonds16

About 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

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 (PubChem CID 158015741) has the molecular formula C123H87N9 and a molecular weight of 1691.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID158015741
Molecular FormulaC123H87N9
Molecular Weight1691.11 g/mol
Exact Mass1689.71
IUPAC Name11-[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
SMILESC.C.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c(-c8ccccc8)nc8ccccc8c76)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c(-c8ccccc8)nc8ccccc8c76)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C61H40N4.C60H39N5.2CH4/c1-4-14-41(15-5-1)43-24-30-47(31-25-43)55-40-56(48-32-26-44(27-33-48)42-16-6-2-7-17-42)64-61(63-55)50-34-28-45(29-35-50)46-36-38-51(39-37-46)65-57-23-13-11-21-53(57)58-59(49-18-8-3-9-19-49)62-54-22-12-10-20-52(54)60(58)65;1-4-14-40(15-5-1)42-24-30-47(31-25-42)58-62-59(48-32-26-43(27-33-48)41-16-6-2-7-17-41)64-60(63-58)49-34-28-44(29-35-49)45-36-38-50(39-37-45)65-54-23-13-11-21-52(54)55-56(46-18-8-3-9-19-46)61-53-22-12-10-20-51(53)57(55)65;;/h1-40H;1-39H;2*1H4
InChIKeyFFKZGXSNHPCPOU-UHFFFAOYSA-N
XLogP32.25
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001691.11
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(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-[4-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-11-phenylindolo[3,2-c]quinoline
CID 156551663
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenanthren-3-ylindolo[3,2-c]quinoline
CID 156551590
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
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122989
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
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
6-phenyl-7-[4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-c]quinoline
CID 156551716
11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-phenanthren-3-ylnaphthalen-1-yl)indolo[3,2-c]quinoline
CID 146480993

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c(-c8ccccc8)nc8ccccc8c76)cc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7c(-c8ccccc8)nc8ccccc8c76)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FFKZGXSNHPCPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4.C60H39N5.2CH4/c1-4-14-41(15-5-1)43-24-30-47(31-25-43)55-40-56(48-32-26-44(27-33-48)42-16-6-2-7-17-42)64-61(63-55)50-34-28-45(29-35-50)46-36-38-51(39-37-46)65-57-23-13-11-21-53(57)58-59(49-18-8-3-9-19-49)62-54-22-12-10-20-52(54)60(58)65;1-4-14-40(15-5-1)42-24-30-47(31-25-42)58-62-59(48-32-26-43(27-33-48)41-16-6-2-7-17-41)64-60(63-58)49-34-28-44(29-35-49)45-36-38-50(39-37-45)65-54-23-13-11-21-52(54)55-56(46-18-8-3-9-19-46)61-53-22-12-10-20-51(53)57(55)65;;/h1-40H;1-39H;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 1691.11 g/mol, XLogP of 32.25, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158015741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).