4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole

C216H136N16 — CID 158708444

IUPAC4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4nn(-c5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5)nc4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4nn(-c5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5)nc4c3)cc2)cc1.c1cncc(-c2c3ccccc3c(-c3ccc(-n4nc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5n4)cc3)c3ccccc23)c1.c1cncc(-c2c3ccccc3c(-c3ccc(-n4nc5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5n4)cc3)c3ccccc23)c1
InChIInChI=1S/2C55H34N4.C55H36N4.C51H32N4/c1-2-13-37-32-38(24-23-35(37)12-1)53-44-17-5-7-19-46(44)54(47-20-8-6-18-45(47)53)39-27-30-50-51(33-39)58-59(57-50)41-28-25-36(26-29-41)52-42-15-3-9-21-48(42)55(40-14-11-31-56-34-40)49-22-10-4-16-43(49)52;1-2-16-40-35(13-1)14-11-25-41(40)55-48-23-9-7-21-46(48)53(47-22-8-10-24-49(47)55)37-28-31-50-51(33-37)58-59(57-50)39-29-26-36(27-30-39)52-42-17-3-5-19-44(42)54(38-15-12-32-56-34-38)45-20-6-4-18-43(45)52;1-3-12-37(13-4-1)39-21-23-41(24-22-39)45-34-51(42-27-25-40(26-28-42)38-14-5-2-6-15-38)55-52(35-45)57-59(58-55)46-31-29-43(30-32-46)53-47-17-7-9-19-49(47)54(44-16-11-33-56-36-44)50-20-10-8-18-48(50)53;1-2-13-33(14-3-1)48-38-16-4-8-20-42(38)50(43-21-9-5-17-39(43)48)35-26-29-46-47(31-35)54-55(53-46)37-27-24-34(25-28-37)49-40-18-6-10-22-44(40)51(36-15-12-30-52-32-36)45-23-11-7-19-41(45)49/h2*1-34H;1-36H;1-32H
InChIKeyIIKMIOLRCXNGFP-UHFFFAOYSA-N
MW2955.58 g/mol
LogP55.72
Rot. Bonds22

About 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole

4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole (PubChem CID 158708444) has the molecular formula C216H136N16 and a molecular weight of 2955.58 g/mol. Its IUPAC name is 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole.

Molecular Properties

Compound Name4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
PubChem CID158708444
Molecular FormulaC216H136N16
Molecular Weight2955.58 g/mol
Exact Mass2953.11
IUPAC Name4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4nn(-c5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5)nc4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4nn(-c5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5)nc4c3)cc2)cc1.c1cncc(-c2c3ccccc3c(-c3ccc(-n4nc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5n4)cc3)c3ccccc23)c1.c1cncc(-c2c3ccccc3c(-c3ccc(-n4nc5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5n4)cc3)c3ccccc23)c1
InChIInChI=1S/2C55H34N4.C55H36N4.C51H32N4/c1-2-13-37-32-38(24-23-35(37)12-1)53-44-17-5-7-19-46(44)54(47-20-8-6-18-45(47)53)39-27-30-50-51(33-39)58-59(57-50)41-28-25-36(26-29-41)52-42-15-3-9-21-48(42)55(40-14-11-31-56-34-40)49-22-10-4-16-43(49)52;1-2-16-40-35(13-1)14-11-25-41(40)55-48-23-9-7-21-46(48)53(47-22-8-10-24-49(47)55)37-28-31-50-51(33-37)58-59(57-50)39-29-26-36(27-30-39)52-42-17-3-5-19-44(42)54(38-15-12-32-56-34-38)45-20-6-4-18-43(45)52;1-3-12-37(13-4-1)39-21-23-41(24-22-39)45-34-51(42-27-25-40(26-28-42)38-14-5-2-6-15-38)55-52(35-45)57-59(58-55)46-31-29-43(30-32-46)53-47-17-7-9-19-49(47)54(44-16-11-33-56-36-44)50-20-10-8-18-48(50)53;1-2-13-33(14-3-1)48-38-16-4-8-20-42(38)50(43-21-9-5-17-39(43)48)35-26-29-46-47(31-35)54-55(53-46)37-27-24-34(25-28-37)49-40-18-6-10-22-44(40)51(36-15-12-30-52-32-36)45-23-11-7-19-41(45)49/h2*1-34H;1-36H;1-32H
InChIKeyIIKMIOLRCXNGFP-UHFFFAOYSA-N
XLogP55.72
TPSA174.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002955.58
LogP ≤ 555.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole with MolForge

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Related Compounds

4,6-dinaphthalen-1-yl-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
CID 121381795
2-(4-naphthalen-1-ylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)benzotriazole
CID 58050368
4,6-bis(10-phenylanthracen-9-yl)-2-(3-pyridin-3-ylphenyl)benzotriazole;5-[3-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-4-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-3-ylphenyl)benzotriazole;5-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyridin-4-ylphenyl)benzotriazole
CID 157100757
5-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118629755
4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline
CID 159789191
5-(9,10-diphenylanthracen-2-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole
CID 121381831
4,6-bis(4-phenylnaphthalen-1-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole
CID 90340182
5-(10-isoquinolin-4-ylanthracen-9-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 118629742
5-(9,10-diphenylanthracen-2-yl)-2-(4-pyridin-3-ylphenyl)benzo[e]benzotriazole
CID 141416223
9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160897071
5-(10-naphthalen-2-ylanthracen-9-yl)-2-(3-pyridin-4-ylphenyl)benzo[e]benzotriazole
CID 118629727
5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
CID 59183229

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole?
The IUPAC name of 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole (CID 158708444) is 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole.
What is the SMILES notation for 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole?
The canonical SMILES for 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole is c1ccc(-c2c3ccccc3c(-c3ccc4nn(-c5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5)nc4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4nn(-c5ccc(-c6c7ccccc7c(-c7cccnc7)c7ccccc67)cc5)nc4c3)cc2)cc1.c1cncc(-c2c3ccccc3c(-c3ccc(-n4nc5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cc5n4)cc3)c3ccccc23)c1.c1cncc(-c2c3ccccc3c(-c3ccc(-n4nc5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5n4)cc3)c3ccccc23)c1.
What is the InChIKey of 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole?
The InChIKey is IIKMIOLRCXNGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N4.C55H36N4.C51H32N4/c1-2-13-37-32-38(24-23-35(37)12-1)53-44-17-5-7-19-46(44)54(47-20-8-6-18-45(47)53)39-27-30-50-51(33-39)58-59(57-50)41-28-25-36(26-29-41)52-42-15-3-9-21-48(42)55(40-14-11-31-56-34-40)49-22-10-4-16-43(49)52;1-2-16-40-35(13-1)14-11-25-41(40)55-48-23-9-7-21-46(48)53(47-22-8-10-24-49(47)55)37-28-31-50-51(33-37)58-59(57-50)39-29-26-36(27-30-39)52-42-17-3-5-19-44(42)54(38-15-12-32-56-34-38)45-20-6-4-18-43(45)52;1-3-12-37(13-4-1)39-21-23-41(24-22-39)45-34-51(42-27-25-40(26-28-42)38-14-5-2-6-15-38)55-52(35-45)57-59(58-55)46-31-29-43(30-32-46)53-47-17-7-9-19-49(47)54(44-16-11-33-56-36-44)50-20-10-8-18-48(50)53;1-2-13-33(14-3-1)48-38-16-4-8-20-42(38)50(43-21-9-5-17-39(43)48)35-26-29-46-47(31-35)54-55(53-46)37-27-24-34(25-28-37)49-40-18-6-10-22-44(40)51(36-15-12-30-52-32-36)45-23-11-7-19-41(45)49/h2*1-34H;1-36H;1-32H.
What are the key properties of 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole?
4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole has a molecular weight of 2955.58 g/mol, XLogP of 55.72, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-phenylphenyl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-1-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-naphthalen-2-ylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole;5-(10-phenylanthracen-9-yl)-2-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]benzotriazole is sourced from PubChem (CID 158708444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).