8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine

C188H121F3N4O2 — CID 160782634

IUPAC8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
SMILESCOc1ccc2cc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccc5cc(OC)ccc5c4)c4cc5c(cc34)c(-c3ccccc3)c(-c3ccc4ccccc4c3)c3ccccc35)ccc2c1.Cc1cccc(-c2c3ccc(-c4ccccc4)cc3c(-c3cccc(C(F)(F)F)c3)c3cc4c(cc23)c(-c2ccccc2)c(-c2ccc3ccccc3c2)c2ccccc24)c1.c1ccc(-c2ccc3c(-c4cccc(-c5ccncc5)n4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4cccc(-c5ccncc5)n4)c3c2)cc1
InChIInChI=1S/C66H44O2.C64H40N4.C58H37F3/c1-67-53-30-27-45-34-50(25-22-47(45)36-53)63-57-32-29-49(41-13-5-3-6-14-41)38-59(57)64(51-26-23-48-37-54(68-2)31-28-46(48)35-51)61-39-58-55-19-11-12-20-56(55)66(52-24-21-42-15-9-10-18-44(42)33-52)65(60(58)40-62(61)63)43-16-7-4-8-17-43;1-3-13-41(14-4-1)47-27-28-51-53(38-47)64(60-24-12-22-58(68-60)44-31-35-66-36-32-44)55-39-52-49-19-9-10-20-50(49)62(48-26-25-42-15-7-8-18-46(42)37-48)61(45-16-5-2-6-17-45)54(52)40-56(55)63(51)59-23-11-21-57(67-59)43-29-33-65-34-30-43;1-36-14-12-21-42(30-36)54-48-29-28-41(37-15-4-2-5-16-37)33-50(48)55(43-22-13-23-45(32-43)58(59,60)61)52-34-49-46-24-10-11-25-47(46)57(44-27-26-38-17-8-9-20-40(38)31-44)56(51(49)35-53(52)54)39-18-6-3-7-19-39/h3-40H,1-2H3;1-40H;2-35H,1H3
InChIKeySATXXLWHMCTJDV-UHFFFAOYSA-N
MW2525.06 g/mol
LogP51.93
Rot. Bonds19

About 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine

8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine (PubChem CID 160782634) has the molecular formula C188H121F3N4O2 and a molecular weight of 2525.06 g/mol. Its IUPAC name is 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine.

Molecular Properties

Compound Name8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
PubChem CID160782634
Molecular FormulaC188H121F3N4O2
Molecular Weight2525.06 g/mol
Exact Mass2522.94
IUPAC Name8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
SMILESCOc1ccc2cc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccc5cc(OC)ccc5c4)c4cc5c(cc34)c(-c3ccccc3)c(-c3ccc4ccccc4c3)c3ccccc35)ccc2c1.Cc1cccc(-c2c3ccc(-c4ccccc4)cc3c(-c3cccc(C(F)(F)F)c3)c3cc4c(cc23)c(-c2ccccc2)c(-c2ccc3ccccc3c2)c2ccccc24)c1.c1ccc(-c2ccc3c(-c4cccc(-c5ccncc5)n4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4cccc(-c5ccncc5)n4)c3c2)cc1
InChIInChI=1S/C66H44O2.C64H40N4.C58H37F3/c1-67-53-30-27-45-34-50(25-22-47(45)36-53)63-57-32-29-49(41-13-5-3-6-14-41)38-59(57)64(51-26-23-48-37-54(68-2)31-28-46(48)35-51)61-39-58-55-19-11-12-20-56(55)66(52-24-21-42-15-9-10-18-44(42)33-52)65(60(58)40-62(61)63)43-16-7-4-8-17-43;1-3-13-41(14-4-1)47-27-28-51-53(38-47)64(60-24-12-22-58(68-60)44-31-35-66-36-32-44)55-39-52-49-19-9-10-20-50(49)62(48-26-25-42-15-7-8-18-46(42)37-48)61(45-16-5-2-6-17-45)54(52)40-56(55)63(51)59-23-11-21-57(67-59)43-29-33-65-34-30-43;1-36-14-12-21-42(30-36)54-48-29-28-41(37-15-4-2-5-16-37)33-50(48)55(43-22-13-23-45(32-43)58(59,60)61)52-34-49-46-24-10-11-25-47(46)57(44-27-26-38-17-8-9-20-40(38)31-44)56(51(49)35-53(52)54)39-18-6-3-7-19-39/h3-40H,1-2H3;1-40H;2-35H,1H3
InChIKeySATXXLWHMCTJDV-UHFFFAOYSA-N
XLogP51.93
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002525.06
LogP ≤ 551.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine with MolForge

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Related Compounds

3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
3-(6-Methoxy-3-methylnaphthalen-2-yl)pyridine
CID 44586852
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
3-(7-Methoxynaphthalen-2-yl)pyridine
CID 11708478
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethoxy)phenyl]pyridine
CID 66829595
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569
3-[3-(4-Trifluoromethoxybenzyl)naphthalen-2-yl]pyridine
CID 25129120

Frequently Asked Questions

What is the IUPAC name of 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine?
The IUPAC name of 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine (CID 160782634) is 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine.
What is the SMILES notation for 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine?
The canonical SMILES for 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine is COc1ccc2cc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccc5cc(OC)ccc5c4)c4cc5c(cc34)c(-c3ccccc3)c(-c3ccc4ccccc4c3)c3ccccc35)ccc2c1.Cc1cccc(-c2c3ccc(-c4ccccc4)cc3c(-c3cccc(C(F)(F)F)c3)c3cc4c(cc23)c(-c2ccccc2)c(-c2ccc3ccccc3c2)c2ccccc24)c1.c1ccc(-c2ccc3c(-c4cccc(-c5ccncc5)n4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4cccc(-c5ccncc5)n4)c3c2)cc1.
What is the InChIKey of 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine?
The InChIKey is SATXXLWHMCTJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44O2.C64H40N4.C58H37F3/c1-67-53-30-27-45-34-50(25-22-47(45)36-53)63-57-32-29-49(41-13-5-3-6-14-41)38-59(57)64(51-26-23-48-37-54(68-2)31-28-46(48)35-51)61-39-58-55-19-11-12-20-56(55)66(52-24-21-42-15-9-10-18-44(42)33-52)65(60(58)40-62(61)63)43-16-7-4-8-17-43;1-3-13-41(14-4-1)47-27-28-51-53(38-47)64(60-24-12-22-58(68-60)44-31-35-66-36-32-44)55-39-52-49-19-9-10-20-50(49)62(48-26-25-42-15-7-8-18-46(42)37-48)61(45-16-5-2-6-17-45)54(52)40-56(55)63(51)59-23-11-21-57(67-59)43-29-33-65-34-30-43;1-36-14-12-21-42(30-36)54-48-29-28-41(37-15-4-2-5-16-37)33-50(48)55(43-22-13-23-45(32-43)58(59,60)61)52-34-49-46-24-10-11-25-47(46)57(44-27-26-38-17-8-9-20-40(38)31-44)56(51(49)35-53(52)54)39-18-6-3-7-19-39/h3-40H,1-2H3;1-40H;2-35H,1H3.
What are the key properties of 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine?
8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine has a molecular weight of 2525.06 g/mol, XLogP of 51.93, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,11-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,11-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine is sourced from PubChem (CID 160782634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).