2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline

C213H129N15 — CID 159408634

IUPAC2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline
SMILESc1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c(ccc4c5ccccc5ccc34)c2)c1.c1ccc2c(c1)ccc1c3ccc(-c4cc(-c5ccc6ccc7cccnc7c6n5)c5cnccc5c4)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)c5cccnc45)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4ncnc(-c5ccc6ccc7cccnc7c6n5)n4)cc3ccc21.c1cnc2cc(-c3ccc4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4c3)ccc2c1.c1cnc2cc(-c3ccnc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)c3)ccc2c1
InChIInChI=1S/2C39H23N3.C37H23N.C33H19N5.C33H21N.C32H20N2/c1-2-7-30-24(5-1)11-15-35-31-14-12-27(21-26(31)13-16-34(30)35)33-18-17-32(36-8-4-20-41-39(33)36)29-22-28-10-9-25-6-3-19-40-37(25)38(28)42-23-29;1-2-6-31-24(4-1)9-14-34-32-13-10-27(20-28(32)11-15-33(31)34)30-21-29-17-19-40-23-36(29)35(22-30)37-16-12-26-8-7-25-5-3-18-41-38(25)39(26)42-37;1-2-6-33-25(4-1)13-17-36-34-16-14-29(20-31(34)15-18-35(33)36)27-10-7-24-8-11-28(22-32(24)21-27)30-12-9-26-5-3-19-38-37(26)23-30;1-2-6-25-20(4-1)9-14-28-26-13-11-24(18-23(26)10-15-27(25)28)32-35-19-36-33(38-32)29-16-12-22-8-7-21-5-3-17-34-30(21)31(22)37-29;1-2-7-30-22(4-1)10-14-33-31-13-11-26(20-28(31)12-15-32(30)33)24-6-3-5-23(18-24)25-8-9-29-21-34-17-16-27(29)19-25;1-2-6-27-21(4-1)9-13-30-28-12-11-26(18-25(28)10-14-29(27)30)32-20-24(15-17-34-32)23-8-7-22-5-3-16-33-31(22)19-23/h2*1-23H;1-23H;1-19H;1-21H;1-20H
InChIKeyLOHCKASBNCCNKP-UHFFFAOYSA-N
MW2898.48 g/mol
LogP55.64
Rot. Bonds12

About 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline

2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline (PubChem CID 159408634) has the molecular formula C213H129N15 and a molecular weight of 2898.48 g/mol. Its IUPAC name is 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline
PubChem CID159408634
Molecular FormulaC213H129N15
Molecular Weight2898.48 g/mol
Exact Mass2896.06
IUPAC Name2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline
SMILESc1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c(ccc4c5ccccc5ccc34)c2)c1.c1ccc2c(c1)ccc1c3ccc(-c4cc(-c5ccc6ccc7cccnc7c6n5)c5cnccc5c4)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)c5cccnc45)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4ncnc(-c5ccc6ccc7cccnc7c6n5)n4)cc3ccc21.c1cnc2cc(-c3ccc4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4c3)ccc2c1.c1cnc2cc(-c3ccnc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)c3)ccc2c1
InChIInChI=1S/2C39H23N3.C37H23N.C33H19N5.C33H21N.C32H20N2/c1-2-7-30-24(5-1)11-15-35-31-14-12-27(21-26(31)13-16-34(30)35)33-18-17-32(36-8-4-20-41-39(33)36)29-22-28-10-9-25-6-3-19-40-37(25)38(28)42-23-29;1-2-6-31-24(4-1)9-14-34-32-13-10-27(20-28(32)11-15-33(31)34)30-21-29-17-19-40-23-36(29)35(22-30)37-16-12-26-8-7-25-5-3-18-41-38(25)39(26)42-37;1-2-6-33-25(4-1)13-17-36-34-16-14-29(20-31(34)15-18-35(33)36)27-10-7-24-8-11-28(22-32(24)21-27)30-12-9-26-5-3-19-38-37(26)23-30;1-2-6-25-20(4-1)9-14-28-26-13-11-24(18-23(26)10-15-27(25)28)32-35-19-36-33(38-32)29-16-12-22-8-7-21-5-3-17-34-30(21)31(22)37-29;1-2-7-30-22(4-1)10-14-33-31-13-11-26(20-28(31)12-15-32(30)33)24-6-3-5-23(18-24)25-8-9-29-21-34-17-16-27(29)19-25;1-2-6-27-21(4-1)9-13-30-28-12-11-26(18-25(28)10-14-29(27)30)32-20-24(15-17-34-32)23-8-7-22-5-3-16-33-31(22)19-23/h2*1-23H;1-23H;1-19H;1-21H;1-20H
InChIKeyLOHCKASBNCCNKP-UHFFFAOYSA-N
XLogP55.64
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002898.48
LogP ≤ 555.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline with MolForge

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Related Compounds

2-chrysen-2-ylbenzo[h]quinoline;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;6-chrysen-2-yl-1-methylbenzimidazole;7-chrysen-2-yl-1-methylbenzimidazole;3-(4-chrysen-2-ylnaphthalen-1-yl)-1,10-phenanthroline;6-(3-chrysen-2-ylphenyl)isoquinoline;2-chrysen-2-ylpyridine;bis(7-(2-chrysen-2-yl-4-pyridinyl)quinoline);2-chrysen-2-ylpyrimidine;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;2-chrysen-2-yl-1,3,5-triazine;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline
CID 158201598
2-(6-benzo[c]phenanthren-5-ylisoquinolin-8-yl)-1,10-phenanthroline;3-(8-benzo[c]phenanthren-5-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-benzo[c]phenanthren-5-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;5-[2-[8-(4-isoquinolin-6-ylpyrimidin-2-yl)benzo[c]phenanthren-3-yl]pyrimidin-4-yl]quinoline;5-[2-[3-(4-quinolin-5-yl-2-pyridinyl)benzo[c]phenanthren-8-yl]-4-pyridinyl]quinoline;3-[4-[3-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazin-2-yl]quinoline
CID 159352760
2-[6-[6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)naphthalen-2-yl]naphthalen-2-yl]-1,3,5-triazine;6-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-8-phenylisoquinoline;2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-(6-phenylnaphthalen-1-yl)pyrimidine;7-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-4-pyridinyl]quinoline;2-[2-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)pyrimidin-4-yl]-1,10-phenanthroline;2-[4-(19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline
CID 161176124
2-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;6-(7-isoquinolin-6-yltriphenylen-2-yl)isoquinoline;6-(6-naphthalen-2-yl-10-quinolin-6-yltriphenylen-2-yl)quinoline;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-[6-(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;2-triphenylen-2-ylbenzo[h]quinoline;9-triphenylen-2-ylbenzo[h]quinoline
CID 158790436
3-[3,8-bis(3-quinolin-6-ylphenyl)phenanthren-1-yl]-8-[3-[1-(3-quinolin-8-ylphenyl)phenanthren-3-yl]phenyl]quinoline
CID 137458731
2-[4-[11-[6-[3-[6-(15-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaenyl)quinolin-3-yl]phenyl]naphthalen-2-yl]-19-hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9(14),10,12,16(24),17,19,21-dodecaenyl]-1,3,5-triazin-2-yl]-1,10-phenanthroline
CID 137458532
2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 165012040
2-(6-chrysen-2-ylisoquinolin-8-yl)-8-[2-[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]benzo[c]phenanthren-7-yl]-1,10-phenanthroline
CID 137458955
2-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165008986
2-naphthalen-2-yl-7-phenyl-4-(4-quinolin-8-ylphenyl)quinoline;2-[7-(1,9-phenanthrolin-2-yl)naphthalen-2-yl]-1,10-phenanthroline
CID 165007474
9-benzo[c]phenanthren-2-ylbenzo[h]quinoline;6-benzo[c]phenanthren-2-yl-8-phenylisoquinoline;2-benzo[c]phenanthren-2-yl-4-phenyl-1,3,5-triazine;7-(2-benzo[c]phenanthren-2-yl-4-pyridinyl)quinoline;7-[2-(1,3-benzothiazol-7-yl)benzo[c]phenanthren-7-yl]-1,3-benzothiazole;methane;1-methyl-7-[1-(3-methylbenzimidazol-4-yl)benzo[c]phenanthren-7-yl]benzimidazole;2-pyridin-2-yl-4-[2-(4-pyridin-2-yl-1,3,5-triazin-2-yl)benzo[c]phenanthren-7-yl]-1,3,5-triazine
CID 159592553
2-[4-[6-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023293

Frequently Asked Questions

What is the IUPAC name of 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline (CID 159408634) is 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline is c1cc(-c2ccc3cnccc3c2)cc(-c2ccc3c(ccc4c5ccccc5ccc34)c2)c1.c1ccc2c(c1)ccc1c3ccc(-c4cc(-c5ccc6ccc7cccnc7c6n5)c5cnccc5c4)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)c5cccnc45)cc3ccc21.c1ccc2c(c1)ccc1c3ccc(-c4ncnc(-c5ccc6ccc7cccnc7c6n5)n4)cc3ccc21.c1cnc2cc(-c3ccc4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4c3)ccc2c1.c1cnc2cc(-c3ccnc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)c3)ccc2c1.
What is the InChIKey of 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline?
The InChIKey is LOHCKASBNCCNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H23N3.C37H23N.C33H19N5.C33H21N.C32H20N2/c1-2-7-30-24(5-1)11-15-35-31-14-12-27(21-26(31)13-16-34(30)35)33-18-17-32(36-8-4-20-41-39(33)36)29-22-28-10-9-25-6-3-19-40-37(25)38(28)42-23-29;1-2-6-31-24(4-1)9-14-34-32-13-10-27(20-28(32)11-15-33(31)34)30-21-29-17-19-40-23-36(29)35(22-30)37-16-12-26-8-7-25-5-3-18-41-38(25)39(26)42-37;1-2-6-33-25(4-1)13-17-36-34-16-14-29(20-31(34)15-18-35(33)36)27-10-7-24-8-11-28(22-32(24)21-27)30-12-9-26-5-3-19-38-37(26)23-30;1-2-6-25-20(4-1)9-14-28-26-13-11-24(18-23(26)10-15-27(25)28)32-35-19-36-33(38-32)29-16-12-22-8-7-21-5-3-17-34-30(21)31(22)37-29;1-2-7-30-22(4-1)10-14-33-31-13-11-26(20-28(31)12-15-32(30)33)24-6-3-5-23(18-24)25-8-9-29-21-34-17-16-27(29)19-25;1-2-6-27-21(4-1)9-13-30-28-12-11-26(18-25(28)10-14-29(27)30)32-20-24(15-17-34-32)23-8-7-22-5-3-16-33-31(22)19-23/h2*1-23H;1-23H;1-19H;1-21H;1-20H.
What are the key properties of 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline?
2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline has a molecular weight of 2898.48 g/mol, XLogP of 55.64, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;7-(7-chrysen-2-ylnaphthalen-2-yl)quinoline;6-(3-chrysen-2-ylphenyl)isoquinoline;7-(2-chrysen-2-yl-4-pyridinyl)quinoline;3-(8-chrysen-2-ylquinolin-5-yl)-1,10-phenanthroline;2-(4-chrysen-2-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 159408634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).