2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline

C197H126N8 — CID 163500180

IUPAC2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)c4)c4ccccc34)cc21.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7c8ccccc8cc8ccccc78)c7ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)nc4c3n2)cc1
InChIInChI=1S/C53H36N2.C52H32N2.C48H30N2.C44H28N2/c1-53(2)45-22-11-10-17-39(45)40-28-25-38(32-46(40)53)50-43-20-8-6-18-41(43)49(42-19-7-9-21-44(42)50)37-16-12-15-36(31-37)48-30-27-35-24-23-34-26-29-47(33-13-4-3-5-14-33)54-51(34)52(35)55-48;1-2-13-33(14-3-1)46-29-27-34-25-26-35-28-30-47(54-52(35)51(34)53-46)38-17-12-18-39(32-38)48-42-21-8-10-23-44(42)50(45-24-11-9-22-43(45)48)49-40-19-6-4-15-36(40)31-37-16-5-7-20-41(37)49;1-2-13-32(14-3-1)43-28-26-33-24-25-34-27-29-44(50-48(34)47(33)49-43)35-16-10-17-36(30-35)45-39-19-6-8-21-41(39)46(42-22-9-7-20-40(42)45)38-23-11-15-31-12-4-5-18-37(31)38;1-3-12-29(13-4-1)39-26-24-31-22-23-32-25-27-40(46-44(32)43(31)45-39)33-16-11-17-34(28-33)42-37-20-9-7-18-35(37)41(30-14-5-2-6-15-30)36-19-8-10-21-38(36)42/h3-32H,1-2H3;1-32H;1-30H;1-28H
InChIKeyCUBIVOKLAXTYND-UHFFFAOYSA-N
MW2605.23 g/mol
LogP52.80
Rot. Bonds16

About 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline

2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline (PubChem CID 163500180) has the molecular formula C197H126N8 and a molecular weight of 2605.23 g/mol. Its IUPAC name is 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
PubChem CID163500180
Molecular FormulaC197H126N8
Molecular Weight2605.23 g/mol
Exact Mass2603.01
IUPAC Name2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)c4)c4ccccc34)cc21.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7c8ccccc8cc8ccccc78)c7ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)nc4c3n2)cc1
InChIInChI=1S/C53H36N2.C52H32N2.C48H30N2.C44H28N2/c1-53(2)45-22-11-10-17-39(45)40-28-25-38(32-46(40)53)50-43-20-8-6-18-41(43)49(42-19-7-9-21-44(42)50)37-16-12-15-36(31-37)48-30-27-35-24-23-34-26-29-47(33-13-4-3-5-14-33)54-51(34)52(35)55-48;1-2-13-33(14-3-1)46-29-27-34-25-26-35-28-30-47(54-52(35)51(34)53-46)38-17-12-18-39(32-38)48-42-21-8-10-23-44(42)50(45-24-11-9-22-43(45)48)49-40-19-6-4-15-36(40)31-37-16-5-7-20-41(37)49;1-2-13-32(14-3-1)43-28-26-33-24-25-34-27-29-44(50-48(34)47(33)49-43)35-16-10-17-36(30-35)45-39-19-6-8-21-41(39)46(42-22-9-7-20-40(42)45)38-23-11-15-31-12-4-5-18-37(31)38;1-3-12-29(13-4-1)39-26-24-31-22-23-32-25-27-40(46-44(32)43(31)45-39)33-16-11-17-34(28-33)42-37-20-9-7-18-35(37)41(30-14-5-2-6-15-30)36-19-8-10-21-38(36)42/h3-32H,1-2H3;1-32H;1-30H;1-28H
InChIKeyCUBIVOKLAXTYND-UHFFFAOYSA-N
XLogP52.80
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms205
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002605.23
LogP ≤ 552.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 161365610
9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9,10-dinaphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(3-phenanthren-1-ylphenyl)anthracene
CID 163960045
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
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene
CID 160962902
2,10-bis(9,9-dimethylfluoren-2-yl)-9-(3-naphthalen-2-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 162026897
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159441922
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 165384497

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline (CID 163500180) is 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)c4)c4ccccc34)cc21.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7c8ccccc8cc8ccccc78)c7ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)nc4c3n2)cc1.
What is the InChIKey of 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
The InChIKey is CUBIVOKLAXTYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2.C52H32N2.C48H30N2.C44H28N2/c1-53(2)45-22-11-10-17-39(45)40-28-25-38(32-46(40)53)50-43-20-8-6-18-41(43)49(42-19-7-9-21-44(42)50)37-16-12-15-36(31-37)48-30-27-35-24-23-34-26-29-47(33-13-4-3-5-14-33)54-51(34)52(35)55-48;1-2-13-33(14-3-1)46-29-27-34-25-26-35-28-30-47(54-52(35)51(34)53-46)38-17-12-18-39(32-38)48-42-21-8-10-23-44(42)50(45-24-11-9-22-43(45)48)49-40-19-6-4-15-36(40)31-37-16-5-7-20-41(37)49;1-2-13-32(14-3-1)43-28-26-33-24-25-34-27-29-44(50-48(34)47(33)49-43)35-16-10-17-36(30-35)45-39-19-6-8-21-41(39)46(42-22-9-7-20-40(42)45)38-23-11-15-31-12-4-5-18-37(31)38;1-3-12-29(13-4-1)39-26-24-31-22-23-32-25-27-40(46-44(32)43(31)45-39)33-16-11-17-34(28-33)42-37-20-9-7-18-35(37)41(30-14-5-2-6-15-30)36-19-8-10-21-38(36)42/h3-32H,1-2H3;1-32H;1-30H;1-28H.
What are the key properties of 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline?
2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline has a molecular weight of 2605.23 g/mol, XLogP of 52.80, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10-anthracen-9-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 163500180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).