2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline

C135H86N12 — CID 162212306

IUPAC2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cc6)nc5c4n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6ccc(-c7cc8ccccc8c8ccccc78)nc6c5n4)cc3)nc3ccccc23)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccccc9c8n7)cc6)nc5c4n3)cccc2c1
InChIInChI=1S/C48H33N5.C46H28N4.C41H25N3/c1-48(2)38-10-4-3-9-36(38)37-22-19-34(27-39(37)48)41-24-21-33-18-17-32-20-23-40(52-46(32)47(33)53-41)31-15-13-30(14-16-31)35-28-44(42-11-5-7-25-49-42)51-45(29-35)43-12-6-8-26-50-43;1-2-10-30(11-3-1)43-38-16-8-9-17-41(38)49-46(50-43)33-22-18-29(19-23-33)40-26-24-31-20-21-32-25-27-42(48-45(32)44(31)47-40)39-28-34-12-4-5-13-35(34)36-14-6-7-15-37(36)39;1-3-9-33-26(6-1)8-5-11-35(33)38-25-22-32-19-18-31-21-24-37(43-40(31)41(32)44-38)29-15-13-28(14-16-29)36-23-20-30-17-12-27-7-2-4-10-34(27)39(30)42-36/h3-29H,1-2H3;1-28H;1-25H
InChIKeyZSZYKQMLNMHUKF-UHFFFAOYSA-N
MW1876.26 g/mol
LogP33.95
Rot. Bonds12

About 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline

2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 162212306) has the molecular formula C135H86N12 and a molecular weight of 1876.26 g/mol. Its IUPAC name is 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
PubChem CID162212306
Molecular FormulaC135H86N12
Molecular Weight1876.26 g/mol
Exact Mass1874.71
IUPAC Name2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cc6)nc5c4n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6ccc(-c7cc8ccccc8c8ccccc78)nc6c5n4)cc3)nc3ccccc23)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccccc9c8n7)cc6)nc5c4n3)cccc2c1
InChIInChI=1S/C48H33N5.C46H28N4.C41H25N3/c1-48(2)38-10-4-3-9-36(38)37-22-19-34(27-39(37)48)41-24-21-33-18-17-32-20-23-40(52-46(32)47(33)53-41)31-15-13-30(14-16-31)35-28-44(42-11-5-7-25-49-42)51-45(29-35)43-12-6-8-26-50-43;1-2-10-30(11-3-1)43-38-16-8-9-17-41(38)49-46(50-43)33-22-18-29(19-23-33)40-26-24-31-20-21-32-25-27-42(48-45(32)44(31)47-40)39-28-34-12-4-5-13-35(34)36-14-6-7-15-37(36)39;1-3-9-33-26(6-1)8-5-11-35(33)38-25-22-32-19-18-31-21-24-37(43-40(31)41(32)44-38)29-15-13-28(14-16-29)36-23-20-30-17-12-27-7-2-4-10-34(27)39(30)42-36/h3-29H,1-2H3;1-28H;1-25H
InChIKeyZSZYKQMLNMHUKF-UHFFFAOYSA-N
XLogP33.95
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001876.26
LogP ≤ 533.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][1,5]naphthyridine;2-phenanthren-3-yl-4-(3-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165096089
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 168777700
9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-pyridin-2-ylpyrimidin-2-yl]phenyl]-2,4-diphenylbenzo[h]quinazoline
CID 147835718
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 158744831
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-[4-phenyl-2-(3-pyridin-3-ylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167701
9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574290
10,10-dimethyl-12-[4-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-12-[4-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 158905535
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
2-[3-(4-phenylquinazolin-2-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732230
2-[3-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732312
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167628
5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline
CID 162021626

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline (CID 162212306) is 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cc6)nc5c4n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6ccc(-c7cc8ccccc8c8ccccc78)nc6c5n4)cc3)nc3ccccc23)cc1.c1ccc2c(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccccc9c8n7)cc6)nc5c4n3)cccc2c1.
What is the InChIKey of 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is ZSZYKQMLNMHUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5.C46H28N4.C41H25N3/c1-48(2)38-10-4-3-9-36(38)37-22-19-34(27-39(37)48)41-24-21-33-18-17-32-20-23-40(52-46(32)47(33)53-41)31-15-13-30(14-16-31)35-28-44(42-11-5-7-25-49-42)51-45(29-35)43-12-6-8-26-50-43;1-2-10-30(11-3-1)43-38-16-8-9-17-41(38)49-46(50-43)33-22-18-29(19-23-33)40-26-24-31-20-21-32-25-27-42(48-45(32)44(31)47-40)39-28-34-12-4-5-13-35(34)36-14-6-7-15-37(36)39;1-3-9-33-26(6-1)8-5-11-35(33)38-25-22-32-19-18-31-21-24-37(43-40(31)41(32)44-38)29-15-13-28(14-16-29)36-23-20-30-17-12-27-7-2-4-10-34(27)39(30)42-36/h3-29H,1-2H3;1-28H;1-25H.
What are the key properties of 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 1876.26 g/mol, XLogP of 33.95, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzo[h]quinolin-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(9,9-dimethylfluoren-2-yl)-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline;2-phenanthren-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 162212306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).