6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine

C289H181N19 — CID 161411337

IUPAC6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
SMILESc1cc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1cc(-c2cc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc6ccccc6c6c5ccc5ccccc56)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)cc5)c4)cc(-c4ccccn4)n3)c2)cc1
InChIInChI=1S/C55H33N3.C51H33N3.C50H32N4.2C47H29N3.C39H25N3/c1-6-21-41-34(14-1)28-29-47-53(41)46-26-11-12-27-50(46)56-54(47)38-18-13-17-37(30-38)51-33-52(48-31-35-15-2-4-19-39(35)42-22-7-9-24-44(42)48)58-55(57-51)49-32-36-16-3-5-20-40(36)43-23-8-10-25-45(43)49;1-3-12-34(13-4-1)36-22-26-39(27-23-36)47-33-48(54-51(53-47)40-28-24-37(25-29-40)35-14-5-2-6-15-35)41-17-11-18-42(32-41)50-45-31-30-38-16-7-8-19-43(38)49(45)44-20-9-10-21-46(44)52-50;1-2-12-33(13-3-1)38-16-11-18-40(31-38)50-53-46(32-47(54-50)45-22-8-9-29-51-45)39-17-10-15-37(30-39)34-23-25-36(26-24-34)49-43-28-27-35-14-4-5-19-41(35)48(43)42-20-6-7-21-44(42)52-49;1-4-19-35-30(12-1)15-10-23-38(35)44-29-43(49-47(50-44)39-24-11-16-31-13-2-5-20-36(31)39)33-17-9-18-34(28-33)46-41-27-26-32-14-3-6-21-37(32)45(41)40-22-7-8-25-42(40)48-46;1-3-13-33-26-36(22-20-30(33)10-1)44-29-43(49-47(50-44)38-23-21-31-11-2-4-14-34(31)27-38)35-15-9-16-37(28-35)46-41-25-24-32-12-5-6-17-39(32)45(41)40-18-7-8-19-42(40)48-46;1-3-13-27(14-4-1)35-25-36(42-39(41-35)28-15-5-2-6-16-28)29-17-11-18-30(24-29)38-33-23-22-26-12-7-8-19-31(26)37(33)32-20-9-10-21-34(32)40-38/h1-33H;1-33H;1-32H;2*1-29H;1-25H
InChIKeyVVMVSZJHFBASKQ-UHFFFAOYSA-N
MW3919.76 g/mol
LogP75.28
Rot. Bonds28

About 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine

6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 161411337) has the molecular formula C289H181N19 and a molecular weight of 3919.76 g/mol. Its IUPAC name is 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
PubChem CID161411337
Molecular FormulaC289H181N19
Molecular Weight3919.76 g/mol
Exact Mass3916.47
IUPAC Name6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
SMILESc1cc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1cc(-c2cc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc6ccccc6c6c5ccc5ccccc56)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)cc5)c4)cc(-c4ccccn4)n3)c2)cc1
InChIInChI=1S/C55H33N3.C51H33N3.C50H32N4.2C47H29N3.C39H25N3/c1-6-21-41-34(14-1)28-29-47-53(41)46-26-11-12-27-50(46)56-54(47)38-18-13-17-37(30-38)51-33-52(48-31-35-15-2-4-19-39(35)42-22-7-9-24-44(42)48)58-55(57-51)49-32-36-16-3-5-20-40(36)43-23-8-10-25-45(43)49;1-3-12-34(13-4-1)36-22-26-39(27-23-36)47-33-48(54-51(53-47)40-28-24-37(25-29-40)35-14-5-2-6-15-35)41-17-11-18-42(32-41)50-45-31-30-38-16-7-8-19-43(38)49(45)44-20-9-10-21-46(44)52-50;1-2-12-33(13-3-1)38-16-11-18-40(31-38)50-53-46(32-47(54-50)45-22-8-9-29-51-45)39-17-10-15-37(30-39)34-23-25-36(26-24-34)49-43-28-27-35-14-4-5-19-41(35)48(43)42-20-6-7-21-44(42)52-49;1-4-19-35-30(12-1)15-10-23-38(35)44-29-43(49-47(50-44)39-24-11-16-31-13-2-5-20-36(31)39)33-17-9-18-34(28-33)46-41-27-26-32-14-3-6-21-37(32)45(41)40-22-7-8-25-42(40)48-46;1-3-13-33-26-36(22-20-30(33)10-1)44-29-43(49-47(50-44)38-23-21-31-11-2-4-14-34(31)27-38)35-15-9-16-37(28-35)46-41-25-24-32-12-5-6-17-39(32)45(41)40-18-7-8-19-42(40)48-46;1-3-13-27(14-4-1)35-25-36(42-39(41-35)28-15-5-2-6-16-28)29-17-11-18-30(24-29)38-33-23-22-26-12-7-8-19-31(26)37(33)32-20-9-10-21-34(32)40-38/h1-33H;1-33H;1-32H;2*1-29H;1-25H
InChIKeyVVMVSZJHFBASKQ-UHFFFAOYSA-N
XLogP75.28
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003919.76
LogP ≤ 575.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine with MolForge

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Related Compounds

6-[3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665289
8-[4-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-[2-(4-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 162248127
6-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666066
6-[3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 122666039
6-[4-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665626
6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122665638
6-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine;6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
CID 158632556
2-[2-(4-benzo[k]phenanthridin-6-ylphenyl)-4-phenylquinazolin-7-yl]-6-[3-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 130316355
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 161486127
14-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 160910312
1-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;4-naphthalen-2-yl-6-phenanthren-9-yl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 162204163

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine (CID 161411337) is 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine is c1cc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1cc(-c2cc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc6ccccc6c6c5ccc5ccccc56)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)cc5)c4)cc(-c4ccccn4)n3)c2)cc1.
What is the InChIKey of 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?
The InChIKey is VVMVSZJHFBASKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3.C51H33N3.C50H32N4.2C47H29N3.C39H25N3/c1-6-21-41-34(14-1)28-29-47-53(41)46-26-11-12-27-50(46)56-54(47)38-18-13-17-37(30-38)51-33-52(48-31-35-15-2-4-19-39(35)42-22-7-9-24-44(42)48)58-55(57-51)49-32-36-16-3-5-20-40(36)43-23-8-10-25-45(43)49;1-3-12-34(13-4-1)36-22-26-39(27-23-36)47-33-48(54-51(53-47)40-28-24-37(25-29-40)35-14-5-2-6-15-35)41-17-11-18-42(32-41)50-45-31-30-38-16-7-8-19-43(38)49(45)44-20-9-10-21-46(44)52-50;1-2-12-33(13-3-1)38-16-11-18-40(31-38)50-53-46(32-47(54-50)45-22-8-9-29-51-45)39-17-10-15-37(30-39)34-23-25-36(26-24-34)49-43-28-27-35-14-4-5-19-41(35)48(43)42-20-6-7-21-44(42)52-49;1-4-19-35-30(12-1)15-10-23-38(35)44-29-43(49-47(50-44)39-24-11-16-31-13-2-5-20-36(31)39)33-17-9-18-34(28-33)46-41-27-26-32-14-3-6-21-37(32)45(41)40-22-7-8-25-42(40)48-46;1-3-13-33-26-36(22-20-30(33)10-1)44-29-43(49-47(50-44)38-23-21-31-11-2-4-14-34(31)27-38)35-15-9-16-37(28-35)46-41-25-24-32-12-5-6-17-39(32)45(41)40-18-7-8-19-42(40)48-46;1-3-13-27(14-4-1)35-25-36(42-39(41-35)28-15-5-2-6-16-28)29-17-11-18-30(24-29)38-33-23-22-26-12-7-8-19-31(26)37(33)32-20-9-10-21-34(32)40-38/h1-33H;1-33H;1-32H;2*1-29H;1-25H.
What are the key properties of 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine?
6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 3919.76 g/mol, XLogP of 75.28, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 161411337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).