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

C259H155N17 — CID 160603300

IUPAC2-[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
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)nc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)c4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)n4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cncc(-c5ccccn5)n4)c4cccc-3c24)cc1
InChIInChI=1S/2C55H33N3.2C54H32N4.C41H25N3/c1-3-13-34(14-4-1)49-42-19-7-8-20-43(42)50(35-15-5-2-6-16-35)53-45-29-28-40(41-21-12-22-44(51(41)45)52(49)53)38-17-11-18-39(33-38)46-30-26-36-24-25-37-27-31-48(47-23-9-10-32-56-47)58-55(37)54(36)57-46;1-3-12-36(13-4-1)49-42-16-7-8-17-43(42)50(37-14-5-2-6-15-37)53-45-30-29-40(41-18-11-19-44(51(41)45)52(49)53)34-21-23-35(24-22-34)46-31-27-38-25-26-39-28-32-48(47-20-9-10-33-56-47)58-55(39)54(38)57-46;1-3-13-33(14-4-1)48-39-17-7-8-18-40(39)49(34-15-5-2-6-16-34)52-42-29-28-37(38-19-11-20-41(50(38)42)51(48)52)43-22-12-23-45(56-43)47-31-27-36-25-24-35-26-30-46(44-21-9-10-32-55-44)57-53(35)54(36)58-47;1-3-12-33(13-4-1)48-40-16-7-8-17-41(40)49(34-14-5-2-6-15-34)52-43-27-26-38(39-18-11-19-42(50(39)43)51(48)52)37-25-28-45(56-32-37)47-30-24-36-22-21-35-23-29-46(44-20-9-10-31-55-44)57-53(35)54(36)58-47;1-3-12-26(13-4-1)37-30-16-7-8-17-31(30)38(27-14-5-2-6-15-27)41-33-22-21-28(29-18-11-19-32(39(29)33)40(37)41)35-24-42-25-36(44-35)34-20-9-10-23-43-34/h2*1-33H;2*1-32H;1-25H
InChIKeyREOBVFGERRFOPA-UHFFFAOYSA-N
MW3505.21 g/mol
LogP67.15
Rot. Bonds24

About 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

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 (PubChem CID 160603300) has the molecular formula C259H155N17 and a molecular weight of 3505.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160603300
Molecular FormulaC259H155N17
Molecular Weight3505.21 g/mol
Exact Mass3502.27
IUPAC Name2-[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
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)nc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)c4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)n4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cncc(-c5ccccn5)n4)c4cccc-3c24)cc1
InChIInChI=1S/2C55H33N3.2C54H32N4.C41H25N3/c1-3-13-34(14-4-1)49-42-19-7-8-20-43(42)50(35-15-5-2-6-16-35)53-45-29-28-40(41-21-12-22-44(51(41)45)52(49)53)38-17-11-18-39(33-38)46-30-26-36-24-25-37-27-31-48(47-23-9-10-32-56-47)58-55(37)54(36)57-46;1-3-12-36(13-4-1)49-42-16-7-8-17-43(42)50(37-14-5-2-6-15-37)53-45-30-29-40(41-18-11-19-44(51(41)45)52(49)53)34-21-23-35(24-22-34)46-31-27-38-25-26-39-28-32-48(47-20-9-10-33-56-47)58-55(39)54(38)57-46;1-3-13-33(14-4-1)48-39-17-7-8-18-40(39)49(34-15-5-2-6-16-34)52-42-29-28-37(38-19-11-20-41(50(38)42)51(48)52)43-22-12-23-45(56-43)47-31-27-36-25-24-35-26-30-46(44-21-9-10-32-55-44)57-53(35)54(36)58-47;1-3-12-33(13-4-1)48-40-16-7-8-17-41(40)49(34-14-5-2-6-15-34)52-43-27-26-38(39-18-11-19-42(50(39)43)51(48)52)37-25-28-45(56-32-37)47-30-24-36-22-21-35-23-29-46(44-20-9-10-31-55-44)57-53(35)54(36)58-47;1-3-12-26(13-4-1)37-30-16-7-8-17-31(30)38(27-14-5-2-6-15-27)41-33-22-21-28(29-18-11-19-32(39(29)33)40(37)41)35-24-42-25-36(44-35)34-20-9-10-23-43-34/h2*1-33H;2*1-32H;1-25H
InChIKeyREOBVFGERRFOPA-UHFFFAOYSA-N
XLogP67.15
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003505.21
LogP ≤ 567.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)cc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)nc4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)c4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccccn8)nc7c6n5)n4)c4cccc-3c24)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cncc(-c5ccccn5)n4)c4cccc-3c24)cc1.
What is the InChIKey of 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?
The InChIKey is REOBVFGERRFOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H33N3.2C54H32N4.C41H25N3/c1-3-13-34(14-4-1)49-42-19-7-8-20-43(42)50(35-15-5-2-6-16-35)53-45-29-28-40(41-21-12-22-44(51(41)45)52(49)53)38-17-11-18-39(33-38)46-30-26-36-24-25-37-27-31-48(47-23-9-10-32-56-47)58-55(37)54(36)57-46;1-3-12-36(13-4-1)49-42-16-7-8-17-43(42)50(37-14-5-2-6-15-37)53-45-30-29-40(41-18-11-19-44(51(41)45)52(49)53)34-21-23-35(24-22-34)46-31-27-38-25-26-39-28-32-48(47-20-9-10-33-56-47)58-55(39)54(38)57-46;1-3-13-33(14-4-1)48-39-17-7-8-18-40(39)49(34-15-5-2-6-16-34)52-42-29-28-37(38-19-11-20-41(50(38)42)51(48)52)43-22-12-23-45(56-43)47-31-27-36-25-24-35-26-30-46(44-21-9-10-32-55-44)57-53(35)54(36)58-47;1-3-12-33(13-4-1)48-40-16-7-8-17-41(40)49(34-14-5-2-6-15-34)52-43-27-26-38(39-18-11-19-42(50(39)43)51(48)52)37-25-28-45(56-32-37)47-30-24-36-22-21-35-23-29-46(44-20-9-10-31-55-44)57-53(35)54(36)58-47;1-3-12-26(13-4-1)37-30-16-7-8-17-31(30)38(27-14-5-2-6-15-27)41-33-22-21-28(29-18-11-19-32(39(29)33)40(37)41)35-24-42-25-36(44-35)34-20-9-10-23-43-34/h2*1-33H;2*1-32H;1-25H.
What are the key properties of 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?
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 has a molecular weight of 3505.21 g/mol, XLogP of 67.15, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160603300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).