2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline

C234H138N8 — CID 161271168

IUPAC2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5ccc6c(-c7ccc8ccc9cccnc9c8n7)ccc7ccc4c5c76)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5cccc(-c6ccc7ccc8cccnc8c7n6)c5)c4)c4cccc-3c24)cc1
InChIInChI=1S/C60H34N2.C60H36N2.C58H34N2.C56H34N2/c1-3-11-35(12-4-1)54-45-16-7-8-17-46(45)55(36-13-5-2-6-14-36)58-50-32-31-42(44-18-9-19-49(56(44)50)57(54)58)41-27-22-37-25-30-48-43(28-23-38-24-29-47(41)52(37)53(38)48)51-33-26-40-21-20-39-15-10-34-61-59(39)60(40)62-51;1-3-13-39(14-4-1)54-49-20-9-10-21-50(49)55(40-15-5-2-6-16-40)58-52-34-33-47(48-22-11-23-51(56(48)52)57(54)58)46-32-31-43(44-18-7-8-19-45(44)46)37-24-26-38(27-25-37)53-35-30-42-29-28-41-17-12-36-61-59(41)60(42)62-53;1-3-13-35(14-4-1)52-45-20-9-10-21-46(45)53(36-15-5-2-6-16-36)56-48-30-29-43(44-22-11-23-47(54(44)48)55(52)56)50-33-39-26-27-40(34-49(39)41-18-7-8-19-42(41)50)51-31-28-38-25-24-37-17-12-32-59-57(37)58(38)60-51;1-3-13-35(14-4-1)50-45-22-7-8-23-46(45)51(36-15-5-2-6-16-36)54-48-30-29-43(44-24-11-25-47(52(44)48)53(50)54)41-19-9-17-39(33-41)40-18-10-20-42(34-40)49-31-28-38-27-26-37-21-12-32-57-55(37)56(38)58-49/h1-34H;1-36H;1-34H;1-34H
InChIKeyVDVJGHFPXQURAC-UHFFFAOYSA-N
MW3061.73 g/mol
LogP63.31
Rot. Bonds18

About 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline

2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline (PubChem CID 161271168) has the molecular formula C234H138N8 and a molecular weight of 3061.73 g/mol. Its IUPAC name is 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline
PubChem CID161271168
Molecular FormulaC234H138N8
Molecular Weight3061.73 g/mol
Exact Mass3059.10
IUPAC Name2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5ccc6c(-c7ccc8ccc9cccnc9c8n7)ccc7ccc4c5c76)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5cccc(-c6ccc7ccc8cccnc8c7n6)c5)c4)c4cccc-3c24)cc1
InChIInChI=1S/C60H34N2.C60H36N2.C58H34N2.C56H34N2/c1-3-11-35(12-4-1)54-45-16-7-8-17-46(45)55(36-13-5-2-6-14-36)58-50-32-31-42(44-18-9-19-49(56(44)50)57(54)58)41-27-22-37-25-30-48-43(28-23-38-24-29-47(41)52(37)53(38)48)51-33-26-40-21-20-39-15-10-34-61-59(39)60(40)62-51;1-3-13-39(14-4-1)54-49-20-9-10-21-50(49)55(40-15-5-2-6-16-40)58-52-34-33-47(48-22-11-23-51(56(48)52)57(54)58)46-32-31-43(44-18-7-8-19-45(44)46)37-24-26-38(27-25-37)53-35-30-42-29-28-41-17-12-36-61-59(41)60(42)62-53;1-3-13-35(14-4-1)52-45-20-9-10-21-46(45)53(36-15-5-2-6-16-36)56-48-30-29-43(44-22-11-23-47(54(44)48)55(52)56)50-33-39-26-27-40(34-49(39)41-18-7-8-19-42(41)50)51-31-28-38-25-24-37-17-12-32-59-57(37)58(38)60-51;1-3-13-35(14-4-1)50-45-22-7-8-23-46(45)51(36-15-5-2-6-16-36)54-48-30-29-43(44-24-11-25-47(52(44)48)53(50)54)41-19-9-17-39(33-41)40-18-10-20-42(34-40)49-31-28-38-27-26-37-21-12-32-57-55(37)56(38)58-49/h1-34H;1-36H;1-34H;1-34H
InChIKeyVDVJGHFPXQURAC-UHFFFAOYSA-N
XLogP63.31
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms242
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003061.73
LogP ≤ 563.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[12-(7,12-diphenylbenzo[k]fluoranthen-3-yl)chrysen-6-yl]-1,10-phenanthroline
CID 88865374
2-[4-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 88865382
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-(9-phenylfluoranthen-3-yl)-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-phenyl-9-(6-phenylpyren-1-yl)-1,10-phenanthroline;2-phenyl-9-(7-phenyltriphenylen-2-yl)-1,10-phenanthroline;2-phenyl-9-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline
CID 158127061
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
2-[4-(8,11-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthroline
CID 121460944
2-[3-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzofuran-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline
CID 157402932
2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline;2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-6-pyridin-2-ylpyrazine;2-[5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-pyridinyl]-9-pyridin-2-yl-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-pyridinyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 160603300
7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 159833113
2-[4-[4-(2,4-diphenyl-5-pyren-1-ylthiophen-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166509162
2-[4-[10-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 167411541

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline?
The IUPAC name of 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline (CID 161271168) is 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c5ccccc45)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5ccc6c(-c7ccc8ccc9cccnc9c8n7)ccc7ccc4c5c76)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5cccc(-c6ccc7ccc8cccnc8c7n6)c5)c4)c4cccc-3c24)cc1.
What is the InChIKey of 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline?
The InChIKey is VDVJGHFPXQURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2.C60H36N2.C58H34N2.C56H34N2/c1-3-11-35(12-4-1)54-45-16-7-8-17-46(45)55(36-13-5-2-6-14-36)58-50-32-31-42(44-18-9-19-49(56(44)50)57(54)58)41-27-22-37-25-30-48-43(28-23-38-24-29-47(41)52(37)53(38)48)51-33-26-40-21-20-39-15-10-34-61-59(39)60(40)62-51;1-3-13-39(14-4-1)54-49-20-9-10-21-50(49)55(40-15-5-2-6-16-40)58-52-34-33-47(48-22-11-23-51(56(48)52)57(54)58)46-32-31-43(44-18-7-8-19-45(44)46)37-24-26-38(27-25-37)53-35-30-42-29-28-41-17-12-36-61-59(41)60(42)62-53;1-3-13-35(14-4-1)52-45-20-9-10-21-46(45)53(36-15-5-2-6-16-36)56-48-30-29-43(44-22-11-23-47(54(44)48)55(52)56)50-33-39-26-27-40(34-49(39)41-18-7-8-19-42(41)50)51-31-28-38-25-24-37-17-12-32-59-57(37)58(38)60-51;1-3-13-35(14-4-1)50-45-22-7-8-23-46(45)51(36-15-5-2-6-16-36)54-48-30-29-43(44-24-11-25-47(52(44)48)53(50)54)41-19-9-17-39(33-41)40-18-10-20-42(34-40)49-31-28-38-27-26-37-21-12-32-57-55(37)56(38)58-49/h1-34H;1-36H;1-34H;1-34H.
What are the key properties of 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline?
2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline has a molecular weight of 3061.73 g/mol, XLogP of 63.31, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-1-yl]phenyl]-1,10-phenanthroline;2-[9-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenanthren-3-yl]-1,10-phenanthroline;2-[3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]phenyl]-1,10-phenanthroline;2-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)pyren-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 161271168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).