1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole

C166H116N4 — CID 160767890

IUPAC1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccc(-n6c(-c7ccccc7)ccc6-c6ccccc6)cc5c(-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)c5ccc(-n6c(-c7ccccc7)ccc6-c6ccccc6)cc45)cc3)cc21.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C88H64N2.C78H52N2/c1-87(2)77-31-19-17-29-69(77)71-45-41-65(53-79(71)87)57-33-37-63(38-34-57)85-73-47-43-68(90-83(61-25-13-7-14-26-61)51-52-84(90)62-27-15-8-16-28-62)56-76(73)86(64-39-35-58(36-40-64)66-42-46-72-70-30-18-20-32-78(70)88(3,4)80(72)54-66)74-48-44-67(55-75(74)85)89-81(59-21-9-5-10-22-59)49-50-82(89)60-23-11-6-12-24-60;1-5-19-57(20-6-1)73-45-46-74(58-21-7-2-8-22-58)79(73)67-41-43-69-71(51-67)77(61-35-29-55(30-36-61)65-39-33-53-17-13-15-27-63(53)49-65)70-44-42-68(80-75(59-23-9-3-10-24-59)47-48-76(80)60-25-11-4-12-26-60)52-72(70)78(69)62-37-31-56(32-38-62)66-40-34-54-18-14-16-28-64(54)50-66/h5-56H,1-4H3;1-52H
InChIKeyRYXPCMSNYLNIKB-UHFFFAOYSA-N
MW2166.78 g/mol
LogP44.74
Rot. Bonds20

About 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole

1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole (PubChem CID 160767890) has the molecular formula C166H116N4 and a molecular weight of 2166.78 g/mol. Its IUPAC name is 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole.

Molecular Properties

Compound Name1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole
PubChem CID160767890
Molecular FormulaC166H116N4
Molecular Weight2166.78 g/mol
Exact Mass2164.92
IUPAC Name1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccc(-n6c(-c7ccccc7)ccc6-c6ccccc6)cc5c(-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)c5ccc(-n6c(-c7ccccc7)ccc6-c6ccccc6)cc45)cc3)cc21.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C88H64N2.C78H52N2/c1-87(2)77-31-19-17-29-69(77)71-45-41-65(53-79(71)87)57-33-37-63(38-34-57)85-73-47-43-68(90-83(61-25-13-7-14-26-61)51-52-84(90)62-27-15-8-16-28-62)56-76(73)86(64-39-35-58(36-40-64)66-42-46-72-70-30-18-20-32-78(70)88(3,4)80(72)54-66)74-48-44-67(55-75(74)85)89-81(59-21-9-5-10-22-59)49-50-82(89)60-23-11-6-12-24-60;1-5-19-57(20-6-1)73-45-46-74(58-21-7-2-8-22-58)79(73)67-41-43-69-71(51-67)77(61-35-29-55(30-36-61)65-39-33-53-17-13-15-27-63(53)49-65)70-44-42-68(80-75(59-23-9-3-10-24-59)47-48-76(80)60-25-11-4-12-26-60)52-72(70)78(69)62-37-31-56(32-38-62)66-40-34-54-18-14-16-28-64(54)50-66/h5-56H,1-4H3;1-52H
InChIKeyRYXPCMSNYLNIKB-UHFFFAOYSA-N
XLogP44.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002166.78
LogP ≤ 544.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole with MolForge

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Related Compounds

10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
10,10-dimethyl-17-naphthalen-2-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175422
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-phenanthren-9-yl-9,10-bis(4-phenylphenyl)anthracene
CID 157129330
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
CID 161463113
2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-diphenylanthracene
CID 159374462
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
The IUPAC name of 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole (CID 160767890) is 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole.
What is the SMILES notation for 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
The canonical SMILES for 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccc(-n6c(-c7ccccc7)ccc6-c6ccccc6)cc5c(-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)c5ccc(-n6c(-c7ccccc7)ccc6-c6ccccc6)cc45)cc3)cc21.c1ccc(-c2ccc(-c3ccccc3)n2-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-n5c(-c6ccccc6)ccc5-c5ccccc5)ccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1.
What is the InChIKey of 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
The InChIKey is RYXPCMSNYLNIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H64N2.C78H52N2/c1-87(2)77-31-19-17-29-69(77)71-45-41-65(53-79(71)87)57-33-37-63(38-34-57)85-73-47-43-68(90-83(61-25-13-7-14-26-61)51-52-84(90)62-27-15-8-16-28-62)56-76(73)86(64-39-35-58(36-40-64)66-42-46-72-70-30-18-20-32-78(70)88(3,4)80(72)54-66)74-48-44-67(55-75(74)85)89-81(59-21-9-5-10-22-59)49-50-82(89)60-23-11-6-12-24-60;1-5-19-57(20-6-1)73-45-46-74(58-21-7-2-8-22-58)79(73)67-41-43-69-71(51-67)77(61-35-29-55(30-36-61)65-39-33-53-17-13-15-27-63(53)49-65)70-44-42-68(80-75(59-23-9-3-10-24-59)47-48-76(80)60-25-11-4-12-26-60)52-72(70)78(69)62-37-31-56(32-38-62)66-40-34-54-18-14-16-28-64(54)50-66/h5-56H,1-4H3;1-52H.
What are the key properties of 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole?
1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole has a molecular weight of 2166.78 g/mol, XLogP of 44.74, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole is sourced from PubChem (CID 160767890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).