bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

C204H124F4N16 — CID 160988649

IUPACbis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESFc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc(-c5ccncc5-c5cnccc5-n5c6ccccc6c6cnccc65)ccc34)ccc2c1.Fc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc(-c5ccncc5-c5cnccc5-n5c6ccccc6c6cnccc65)ccc34)ccc2c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccncc4-c4cnccc4-n4c5ccccc5c5cnccc54)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cncc(-c5ccc(-n6c7ccccc7c7ccncc76)nc5)c4)ccc23)cc1
InChIInChI=1S/2C55H32F2N4.2C47H30N4/c2*56-40-16-13-33-25-38(11-9-35(33)27-40)54-44-6-1-2-7-45(44)55(39-12-10-36-28-41(57)17-14-34(36)26-39)47-29-37(15-18-46(47)54)42-19-22-58-30-48(42)50-32-60-24-21-53(50)61-51-8-4-3-5-43(51)49-31-59-23-20-52(49)61;1-3-11-31(12-4-1)46-39-16-7-8-17-40(39)47(32-13-5-2-6-14-32)42-26-33(19-21-41(42)46)35-25-36(28-49-27-35)34-20-22-45(50-29-34)51-43-18-10-9-15-37(43)38-23-24-48-30-44(38)51;1-3-11-31(12-4-1)46-36-16-7-8-17-37(36)47(32-13-5-2-6-14-32)39-27-33(19-20-38(39)46)34-21-24-48-28-40(34)42-30-50-26-23-45(42)51-43-18-10-9-15-35(43)41-29-49-25-22-44(41)51/h2*1-32H;2*1-30H
InChIKeyTUHZOHNBYISCIJ-UHFFFAOYSA-N
MW2875.34 g/mol
LogP52.94
Rot. Bonds20

About bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 160988649) has the molecular formula C204H124F4N16 and a molecular weight of 2875.34 g/mol. Its IUPAC name is bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Namebis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
PubChem CID160988649
Molecular FormulaC204H124F4N16
Molecular Weight2875.34 g/mol
Exact Mass2873.01
IUPAC Namebis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESFc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc(-c5ccncc5-c5cnccc5-n5c6ccccc6c6cnccc65)ccc34)ccc2c1.Fc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc(-c5ccncc5-c5cnccc5-n5c6ccccc6c6cnccc65)ccc34)ccc2c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccncc4-c4cnccc4-n4c5ccccc5c5cnccc54)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cncc(-c5ccc(-n6c7ccccc7c7ccncc76)nc5)c4)ccc23)cc1
InChIInChI=1S/2C55H32F2N4.2C47H30N4/c2*56-40-16-13-33-25-38(11-9-35(33)27-40)54-44-6-1-2-7-45(44)55(39-12-10-36-28-41(57)17-14-34(36)26-39)47-29-37(15-18-46(47)54)42-19-22-58-30-48(42)50-32-60-24-21-53(50)61-51-8-4-3-5-43(51)49-31-59-23-20-52(49)61;1-3-11-31(12-4-1)46-39-16-7-8-17-40(39)47(32-13-5-2-6-14-32)42-26-33(19-21-41(42)46)35-25-36(28-49-27-35)34-20-22-45(50-29-34)51-43-18-10-9-15-37(43)38-23-24-48-30-44(38)51;1-3-11-31(12-4-1)46-36-16-7-8-17-37(36)47(32-13-5-2-6-14-32)39-27-33(19-20-38(39)46)34-21-24-48-28-40(34)42-30-50-26-23-45(42)51-43-18-10-9-15-35(43)41-29-49-25-22-44(41)51/h2*1-32H;2*1-30H
InChIKeyTUHZOHNBYISCIJ-UHFFFAOYSA-N
XLogP52.94
TPSA174.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002875.34
LogP ≤ 552.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole with MolForge

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Launch Full Analysis

Related Compounds

9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 160544614
5-[5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-pyridinyl]-1-phenylpyrido[4,3-b]indole;5-[5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole;5-[3-(10-phenylanthracen-9-yl)phenyl]pyrido[4,3-b]indole;1-phenyl-5-[6-[4-(10-phenylanthracen-9-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 158139970
9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 130355744
5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole
CID 151645202
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
5-[6-[5-[9,10-bis[4-(3-phenylphenyl)phenyl]anthracen-2-yl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole
CID 58351456
9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59609470
5-[3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylphenyl]phenyl]-1-phenylpyrido[4,3-b]indole;9-[2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole;5-[3-[4-(9,10-diphenylanthracen-2-yl)-2-methylphenyl]phenyl]pyrido[4,3-b]indole;9-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole
CID 159877278
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
8-[9-(4-fluorophenyl)-10-phenylanthracen-2-yl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 122524563
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917

Frequently Asked Questions

What is the IUPAC name of bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The IUPAC name of bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 160988649) is bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.
What is the SMILES notation for bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The canonical SMILES for bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is Fc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc(-c5ccncc5-c5cnccc5-n5c6ccccc6c6cnccc65)ccc34)ccc2c1.Fc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc(-c5ccncc5-c5cnccc5-n5c6ccccc6c6cnccc65)ccc34)ccc2c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccncc4-c4cnccc4-n4c5ccccc5c5cnccc54)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cncc(-c5ccc(-n6c7ccccc7c7ccncc76)nc5)c4)ccc23)cc1.
What is the InChIKey of bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The InChIKey is TUHZOHNBYISCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H32F2N4.2C47H30N4/c2*56-40-16-13-33-25-38(11-9-35(33)27-40)54-44-6-1-2-7-45(44)55(39-12-10-36-28-41(57)17-14-34(36)26-39)47-29-37(15-18-46(47)54)42-19-22-58-30-48(42)50-32-60-24-21-53(50)61-51-8-4-3-5-43(51)49-31-59-23-20-52(49)61;1-3-11-31(12-4-1)46-39-16-7-8-17-40(39)47(32-13-5-2-6-14-32)42-26-33(19-21-41(42)46)35-25-36(28-49-27-35)34-20-22-45(50-29-34)51-43-18-10-9-15-37(43)38-23-24-48-30-44(38)51;1-3-11-31(12-4-1)46-36-16-7-8-17-37(36)47(32-13-5-2-6-14-32)39-27-33(19-20-38(39)46)34-21-24-48-28-40(34)42-30-50-26-23-45(42)51-43-18-10-9-15-35(43)41-29-49-25-22-44(41)51/h2*1-32H;2*1-30H.
What are the key properties of bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 2875.34 g/mol, XLogP of 52.94, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-[3-[4-[9,10-bis(6-fluoronaphthalen-2-yl)anthracen-2-yl]-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole);5-[3-[4-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-4-pyridinyl]pyrido[4,3-b]indole;9-[5-[5-(9,10-diphenylanthracen-2-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 160988649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).