2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine

C348H216N18 — CID 161079288

IUPAC2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1
InChIInChI=1S/3C59H37N3.3C57H35N3/c1-2-16-38(17-3-1)57-36-58(51-30-13-6-23-44(51)42-21-15-31-60-37-42)62-59(61-57)41-20-14-19-39(32-41)52-34-54-49-28-11-12-29-50(49)55(35-56(54)48-27-10-8-25-46(48)52)53-33-40-18-4-5-22-43(40)45-24-7-9-26-47(45)53;1-2-15-38(16-3-1)57-36-58(42-20-12-18-39(31-42)44-22-14-30-60-37-44)62-59(61-57)43-21-13-19-40(32-43)52-34-54-50-28-10-11-29-51(50)55(35-56(54)49-27-9-7-25-47(49)52)53-33-41-17-4-5-23-45(41)46-24-6-8-26-48(46)53;1-2-14-39(15-3-1)57-36-58(40-29-27-38(28-30-40)44-19-13-31-60-37-44)62-59(61-57)43-18-12-17-41(32-43)52-34-54-50-25-10-11-26-51(50)55(35-56(54)49-24-9-7-22-47(49)52)53-33-42-16-4-5-20-45(42)46-21-6-8-23-48(46)53;1-2-12-36(13-3-1)53-34-54(49-22-9-6-19-44(49)42-17-11-31-58-35-42)60-57(59-53)41-16-10-15-39(32-41)45-27-23-37-26-30-51-48(28-24-38-25-29-50(45)55(37)56(38)51)52-33-40-14-4-5-18-43(40)46-20-7-8-21-47(46)52;1-2-11-36(12-3-1)53-34-54(42-16-8-14-39(31-42)44-18-10-30-58-35-44)60-57(59-53)43-17-9-15-40(32-43)46-26-22-37-25-29-51-49(27-23-38-24-28-50(46)55(37)56(38)51)52-33-41-13-4-5-19-45(41)47-20-6-7-21-48(47)52;1-2-10-37(11-3-1)53-34-54(38-21-19-36(20-22-38)44-15-9-31-58-35-44)60-57(59-53)43-14-8-13-41(32-43)46-27-23-39-26-30-51-49(28-24-40-25-29-50(46)55(39)56(40)51)52-33-42-12-4-5-16-45(42)47-17-6-7-18-48(47)52/h3*1-37H;3*1-35H
InChIKeyUFRRSAMGELGRQK-UHFFFAOYSA-N
MW4649.68 g/mol
LogP92.15
Rot. Bonds36

About 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine

2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 161079288) has the molecular formula C348H216N18 and a molecular weight of 4649.68 g/mol. Its IUPAC name is 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID161079288
Molecular FormulaC348H216N18
Molecular Weight4649.68 g/mol
Exact Mass4645.75
IUPAC Name2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1
InChIInChI=1S/3C59H37N3.3C57H35N3/c1-2-16-38(17-3-1)57-36-58(51-30-13-6-23-44(51)42-21-15-31-60-37-42)62-59(61-57)41-20-14-19-39(32-41)52-34-54-49-28-11-12-29-50(49)55(35-56(54)48-27-10-8-25-46(48)52)53-33-40-18-4-5-22-43(40)45-24-7-9-26-47(45)53;1-2-15-38(16-3-1)57-36-58(42-20-12-18-39(31-42)44-22-14-30-60-37-44)62-59(61-57)43-21-13-19-40(32-43)52-34-54-50-28-10-11-29-51(50)55(35-56(54)49-27-9-7-25-47(49)52)53-33-41-17-4-5-23-45(41)46-24-6-8-26-48(46)53;1-2-14-39(15-3-1)57-36-58(40-29-27-38(28-30-40)44-19-13-31-60-37-44)62-59(61-57)43-18-12-17-41(32-43)52-34-54-50-25-10-11-26-51(50)55(35-56(54)49-24-9-7-22-47(49)52)53-33-42-16-4-5-20-45(42)46-21-6-8-23-48(46)53;1-2-12-36(13-3-1)53-34-54(49-22-9-6-19-44(49)42-17-11-31-58-35-42)60-57(59-53)41-16-10-15-39(32-41)45-27-23-37-26-30-51-48(28-24-38-25-29-50(45)55(37)56(38)51)52-33-40-14-4-5-18-43(40)46-20-7-8-21-47(46)52;1-2-11-36(12-3-1)53-34-54(42-16-8-14-39(31-42)44-18-10-30-58-35-44)60-57(59-53)43-17-9-15-40(32-43)46-26-22-37-25-29-51-49(27-23-38-24-28-50(46)55(37)56(38)51)52-33-41-13-4-5-19-45(41)47-20-6-7-21-48(47)52;1-2-10-37(11-3-1)53-34-54(38-21-19-36(20-22-38)44-15-9-31-58-35-44)60-57(59-53)43-14-8-13-41(32-43)46-27-23-39-26-30-51-49(28-24-40-25-29-50(46)55(39)56(40)51)52-33-42-12-4-5-16-45(42)47-17-6-7-18-48(47)52/h3*1-37H;3*1-35H
InChIKeyUFRRSAMGELGRQK-UHFFFAOYSA-N
XLogP92.15
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004649.68
LogP ≤ 592.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

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Related Compounds

4-phenyl-2-[3-(6-phenylpyren-1-yl)phenyl]-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 118313945
2-[3-(12-naphthalen-1-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 118313938
4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159291007
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263014
2-(3-naphthalen-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161484198
2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588
2-[3-(6-phenylpyren-1-yl)phenyl]-4-pyridin-3-yl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 118314046
2,4-diphenyl-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 167597427
2-(3-phenylphenyl)-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(4-pyren-1-ylphenyl)-6-(2-pyridin-3-ylphenyl)pyrimidin-2-yl]benzonitrile;4-[4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]benzonitrile
CID 158049523
4-(3-phenylphenyl)-2-[3-[5-[3-phenyl-5-[6-pyren-1-yl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-3-pyridinyl]phenyl]-6-pyren-1-ylpyrimidine
CID 130271332
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264454
4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 130264541

Frequently Asked Questions

What is the IUPAC name of 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 161079288) is 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cccc(-c4cc5c6ccccc6c(-c6cc7ccccc7c7ccccc67)cc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cccc(-c4ccc5ccc6c(-c7cc8ccccc8c8ccccc78)ccc7ccc4c5c76)c3)n2)cc1.
What is the InChIKey of 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is UFRRSAMGELGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H37N3.3C57H35N3/c1-2-16-38(17-3-1)57-36-58(51-30-13-6-23-44(51)42-21-15-31-60-37-42)62-59(61-57)41-20-14-19-39(32-41)52-34-54-49-28-11-12-29-50(49)55(35-56(54)48-27-10-8-25-46(48)52)53-33-40-18-4-5-22-43(40)45-24-7-9-26-47(45)53;1-2-15-38(16-3-1)57-36-58(42-20-12-18-39(31-42)44-22-14-30-60-37-44)62-59(61-57)43-21-13-19-40(32-43)52-34-54-50-28-10-11-29-51(50)55(35-56(54)49-27-9-7-25-47(49)52)53-33-41-17-4-5-23-45(41)46-24-6-8-26-48(46)53;1-2-14-39(15-3-1)57-36-58(40-29-27-38(28-30-40)44-19-13-31-60-37-44)62-59(61-57)43-18-12-17-41(32-43)52-34-54-50-25-10-11-26-51(50)55(35-56(54)49-24-9-7-22-47(49)52)53-33-42-16-4-5-20-45(42)46-21-6-8-23-48(46)53;1-2-12-36(13-3-1)53-34-54(49-22-9-6-19-44(49)42-17-11-31-58-35-42)60-57(59-53)41-16-10-15-39(32-41)45-27-23-37-26-30-51-48(28-24-38-25-29-50(45)55(37)56(38)51)52-33-40-14-4-5-18-43(40)46-20-7-8-21-47(46)52;1-2-11-36(12-3-1)53-34-54(42-16-8-14-39(31-42)44-18-10-30-58-35-44)60-57(59-53)43-17-9-15-40(32-43)46-26-22-37-25-29-51-49(27-23-38-24-28-50(46)55(37)56(38)51)52-33-41-13-4-5-19-45(41)47-20-6-7-21-48(47)52;1-2-10-37(11-3-1)53-34-54(38-21-19-36(20-22-38)44-15-9-31-58-35-44)60-57(59-53)43-14-8-13-41(32-43)46-27-23-39-26-30-51-49(28-24-40-25-29-50(46)55(39)56(40)51)52-33-42-12-4-5-16-45(42)47-17-6-7-18-48(47)52/h3*1-37H;3*1-35H.
What are the key properties of 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 4649.68 g/mol, XLogP of 92.15, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3-(6-phenanthren-9-ylpyren-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 161079288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).