1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole

C269H185N9 — CID 157407353

IUPAC1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole
SMILESCC(C)(C)c1ccc(-c2c3cc(-n4c(-c5ccccc5)ccc4-c4ccccc4)ccc3c(-c3cccc4ccccc34)c3cc(-n4c(-c5ccccc5)ccc4-c4ccccc4)ccc23)cc1.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4nccc5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2cccc(-c3c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C70H46N2.C68H46N2.C66H50N2.C65H43N3/c1-5-21-48(22-6-1)65-40-41-66(49-23-7-2-8-24-49)71(65)53-37-39-61-63(45-53)69(59-35-19-30-47-20-13-15-31-55(47)59)60-38-36-54(72-67(50-25-9-3-10-26-50)42-43-68(72)51-27-11-4-12-28-51)46-64(60)70(61)62-44-52-29-14-16-32-56(52)57-33-17-18-34-58(57)62;1-6-20-47(21-7-1)53-32-18-33-54(44-53)67-59-38-36-56(70-65(51-27-12-4-13-28-51)42-43-66(70)52-29-14-5-15-30-52)46-62(59)68(58-35-19-31-48-22-16-17-34-57(48)58)60-39-37-55(45-61(60)67)69-63(49-23-8-2-9-24-49)40-41-64(69)50-25-10-3-11-26-50;1-66(2,3)51-33-31-50(32-34-51)64-56-37-35-53(68-62(48-24-12-6-13-25-48)41-42-63(68)49-26-14-7-15-27-49)44-59(56)65(55-30-18-28-45-19-16-17-29-54(45)55)57-38-36-52(43-58(57)64)67-60(46-20-8-4-9-21-46)39-40-61(67)47-22-10-5-11-23-47;1-5-20-46(21-6-1)59-36-37-60(47-22-7-2-8-23-47)67(59)50-33-35-56-57(42-50)63(54-31-17-28-44-18-13-15-29-52(44)54)55-34-32-51(43-58(55)64(56)65-53-30-16-14-19-45(53)40-41-66-65)68-61(48-24-9-3-10-25-48)38-39-62(68)49-26-11-4-12-27-49/h1-46H;1-46H;4-44H,1-3H3;1-43H
InChIKeyBNWLPDDOZMHWSG-UHFFFAOYSA-N
MW3543.50 g/mol
LogP72.74
Rot. Bonds33

About 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole

1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole (PubChem CID 157407353) has the molecular formula C269H185N9 and a molecular weight of 3543.50 g/mol. Its IUPAC name is 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole.

Molecular Properties

Compound Name1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole
PubChem CID157407353
Molecular FormulaC269H185N9
Molecular Weight3543.50 g/mol
Exact Mass3540.48
IUPAC Name1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole
SMILESCC(C)(C)c1ccc(-c2c3cc(-n4c(-c5ccccc5)ccc4-c4ccccc4)ccc3c(-c3cccc4ccccc34)c3cc(-n4c(-c5ccccc5)ccc4-c4ccccc4)ccc23)cc1.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4nccc5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2cccc(-c3c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C70H46N2.C68H46N2.C66H50N2.C65H43N3/c1-5-21-48(22-6-1)65-40-41-66(49-23-7-2-8-24-49)71(65)53-37-39-61-63(45-53)69(59-35-19-30-47-20-13-15-31-55(47)59)60-38-36-54(72-67(50-25-9-3-10-26-50)42-43-68(72)51-27-11-4-12-28-51)46-64(60)70(61)62-44-52-29-14-16-32-56(52)57-33-17-18-34-58(57)62;1-6-20-47(21-7-1)53-32-18-33-54(44-53)67-59-38-36-56(70-65(51-27-12-4-13-28-51)42-43-66(70)52-29-14-5-15-30-52)46-62(59)68(58-35-19-31-48-22-16-17-34-57(48)58)60-39-37-55(45-61(60)67)69-63(49-23-8-2-9-24-49)40-41-64(69)50-25-10-3-11-26-50;1-66(2,3)51-33-31-50(32-34-51)64-56-37-35-53(68-62(48-24-12-6-13-25-48)41-42-63(68)49-26-14-7-15-27-49)44-59(56)65(55-30-18-28-45-19-16-17-29-54(45)55)57-38-36-52(43-58(57)64)67-60(46-20-8-4-9-21-46)39-40-61(67)47-22-10-5-11-23-47;1-5-20-46(21-6-1)59-36-37-60(47-22-7-2-8-23-47)67(59)50-33-35-56-57(42-50)63(54-31-17-28-44-18-13-15-29-52(44)54)55-34-32-51(43-58(55)64(56)65-53-30-16-14-19-45(53)40-41-66-65)68-61(48-24-9-3-10-25-48)38-39-62(68)49-26-11-4-12-27-49/h1-46H;1-46H;4-44H,1-3H3;1-43H
InChIKeyBNWLPDDOZMHWSG-UHFFFAOYSA-N
XLogP72.74
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds33
Heavy Atoms278
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003543.50
LogP ≤ 572.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole with MolForge

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Related Compounds

5,10-Dimethyl-2-[1-(3-propylphenyl)indol-6-yl]phenanthridin-5-ium chloride
CID 164611513
5,9-Dimethyl-2-[1-[3-(3-methylbutyl)phenyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164612817
5,9-Dimethyl-2-[1-(3-propylphenyl)indol-6-yl]phenanthridin-5-ium chloride
CID 164618343
5,10-Dimethyl-2-[1-[3-(3-methylbutyl)phenyl]indol-6-yl]phenanthridin-5-ium chloride
CID 164628151
1,6-Dibenzyl-5,11-dimethylpyrido[4,3-b]carbazole
CID 330921
9-[6-(3,6-Difluorocarbazol-9-yl)-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-difluorocarbazole
CID 59357109
9-[6-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357140
9-[9,10-Bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole
CID 59357236
9-[6-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-tert-butylpyridin-2-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357287
(3Z)-3-[[1-[9-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]carbazol-3-yl]-4-methyl-5-phenylpyrrol-3-yl]methylidene]-10-[4-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(2-methylphenyl)phenyl]-4,8-dimethyl-9-phenylphenaleno[1,2-b]pyrrole
CID 88966317
N-[4-(7,12-ditert-butylnaphtho[3,2-h]quinolin-9-yl)phenyl]-2-fluoro-N-phenylaniline
CID 89342011
N-[4-(7,12-ditert-butylnaphtho[3,2-h]quinolin-9-yl)phenyl]-2-fluoro-N,4,6-triphenylaniline
CID 89342021

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
The IUPAC name of 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole (CID 157407353) is 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole.
What is the SMILES notation for 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
The canonical SMILES for 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole is CC(C)(C)c1ccc(-c2c3cc(-n4c(-c5ccccc5)ccc4-c4ccccc4)ccc3c(-c3cccc4ccccc34)c3cc(-n4c(-c5ccccc5)ccc4-c4ccccc4)ccc23)cc1.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4nccc5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2cccc(-c3c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc34)c2)cc1.
What is the InChIKey of 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
The InChIKey is BNWLPDDOZMHWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2.C68H46N2.C66H50N2.C65H43N3/c1-5-21-48(22-6-1)65-40-41-66(49-23-7-2-8-24-49)71(65)53-37-39-61-63(45-53)69(59-35-19-30-47-20-13-15-31-55(47)59)60-38-36-54(72-67(50-25-9-3-10-26-50)42-43-68(72)51-27-11-4-12-28-51)46-64(60)70(61)62-44-52-29-14-16-32-56(52)57-33-17-18-34-58(57)62;1-6-20-47(21-7-1)53-32-18-33-54(44-53)67-59-38-36-56(70-65(51-27-12-4-13-28-51)42-43-66(70)52-29-14-5-15-30-52)46-62(59)68(58-35-19-31-48-22-16-17-34-57(48)58)60-39-37-55(45-61(60)67)69-63(49-23-8-2-9-24-49)40-41-64(69)50-25-10-3-11-26-50;1-66(2,3)51-33-31-50(32-34-51)64-56-37-35-53(68-62(48-24-12-6-13-25-48)41-42-63(68)49-26-14-7-15-27-49)44-59(56)65(55-30-18-28-45-19-16-17-29-54(45)55)57-38-36-52(43-58(57)64)67-60(46-20-8-4-9-21-46)39-40-61(67)47-22-10-5-11-23-47;1-5-20-46(21-6-1)59-36-37-60(47-22-7-2-8-23-47)67(59)50-33-35-56-57(42-50)63(54-31-17-28-44-18-13-15-29-52(44)54)55-34-32-51(43-58(55)64(56)65-53-30-16-14-19-45(53)40-41-66-65)68-61(48-24-9-3-10-25-48)38-39-62(68)49-26-11-4-12-27-49/h1-46H;1-46H;4-44H,1-3H3;1-43H.
What are the key properties of 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole has a molecular weight of 3543.50 g/mol, XLogP of 72.74, 33 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]isoquinoline;1-[9-(4-tert-butylphenyl)-6-(2,5-diphenylpyrrol-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole is sourced from PubChem (CID 157407353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).