2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole

C229H156N14 — CID 164962129

IUPAC2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole
SMILESC1=CC2N=C(c3ccc(-c4c5ccc(-c6ccccc6)cc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc45)cc3)N(c3ccccc3)C2C=C1.C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cc(-c6ccc7ccccc7c6)ccc45)cc3)N(c3ccccc3)C2C=C1.C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cc(-c6ccccc6)ccc45)cc3)N(c3ccccc3)C2C=C1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C64H44N4.C62H42N4.C58H40N4.C45H30N2/c1-5-17-43(18-6-1)49-37-39-53-55(41-49)61(45-29-33-47(34-30-45)63-65-57-25-13-15-27-59(57)67(63)51-21-9-3-10-22-51)54-40-38-50(44-19-7-2-8-20-44)42-56(54)62(53)46-31-35-48(36-32-46)64-66-58-26-14-16-28-60(58)68(64)52-23-11-4-12-24-52;1-3-17-49(18-4-1)65-57-25-13-11-23-55(57)63-61(65)44-32-28-42(29-33-44)59-51-21-9-10-22-52(51)60(54-40-48(37-38-53(54)59)47-36-27-41-15-7-8-16-46(41)39-47)43-30-34-45(35-31-43)62-64-56-24-12-14-26-58(56)66(62)50-19-5-2-6-20-50;1-4-16-39(17-5-1)44-36-37-49-50(38-44)56(41-30-34-43(35-31-41)58-60-52-25-13-15-27-54(52)62(58)46-20-8-3-9-21-46)48-23-11-10-22-47(48)55(49)40-28-32-42(33-29-40)57-59-51-24-12-14-26-53(51)61(57)45-18-6-2-7-19-45;1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36/h1-42,57,59H;1-40,55,57H;1-38,51,53H;1-30H
InChIKeyBZEJJJNXMJQMLM-UHFFFAOYSA-N
MW3103.86 g/mol
LogP57.21
Rot. Bonds27

About 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole (PubChem CID 164962129) has the molecular formula C229H156N14 and a molecular weight of 3103.86 g/mol. Its IUPAC name is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole
PubChem CID164962129
Molecular FormulaC229H156N14
Molecular Weight3103.86 g/mol
Exact Mass3101.26
IUPAC Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole
SMILESC1=CC2N=C(c3ccc(-c4c5ccc(-c6ccccc6)cc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc45)cc3)N(c3ccccc3)C2C=C1.C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cc(-c6ccc7ccccc7c6)ccc45)cc3)N(c3ccccc3)C2C=C1.C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cc(-c6ccccc6)ccc45)cc3)N(c3ccccc3)C2C=C1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C64H44N4.C62H42N4.C58H40N4.C45H30N2/c1-5-17-43(18-6-1)49-37-39-53-55(41-49)61(45-29-33-47(34-30-45)63-65-57-25-13-15-27-59(57)67(63)51-21-9-3-10-22-51)54-40-38-50(44-19-7-2-8-20-44)42-56(54)62(53)46-31-35-48(36-32-46)64-66-58-26-14-16-28-60(58)68(64)52-23-11-4-12-24-52;1-3-17-49(18-4-1)65-57-25-13-11-23-55(57)63-61(65)44-32-28-42(29-33-44)59-51-21-9-10-22-52(51)60(54-40-48(37-38-53(54)59)47-36-27-41-15-7-8-16-46(41)39-47)43-30-34-45(35-31-43)62-64-56-24-12-14-26-58(56)66(62)50-19-5-2-6-20-50;1-4-16-39(17-5-1)44-36-37-49-50(38-44)56(41-30-34-43(35-31-41)58-60-52-25-13-15-27-54(52)62(58)46-20-8-3-9-21-46)48-23-11-10-22-47(48)55(49)40-28-32-42(33-29-40)57-59-51-24-12-14-26-53(51)61(57)45-18-6-2-7-19-45;1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36/h1-42,57,59H;1-40,55,57H;1-38,51,53H;1-30H
InChIKeyBZEJJJNXMJQMLM-UHFFFAOYSA-N
XLogP57.21
TPSA118.08 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003103.86
LogP ≤ 557.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole with MolForge

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Related Compounds

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenyl-3a,7a-dihydrobenzimidazole
CID 145390952
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole (CID 164962129) is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole is C1=CC2N=C(c3ccc(-c4c5ccc(-c6ccccc6)cc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc45)cc3)N(c3ccccc3)C2C=C1.C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cc(-c6ccc7ccccc7c6)ccc45)cc3)N(c3ccccc3)C2C=C1.C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5cc(-c6ccccc6)ccc45)cc3)N(c3ccccc3)C2C=C1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.
What is the InChIKey of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is BZEJJJNXMJQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4.C62H42N4.C58H40N4.C45H30N2/c1-5-17-43(18-6-1)49-37-39-53-55(41-49)61(45-29-33-47(34-30-45)63-65-57-25-13-15-27-59(57)67(63)51-21-9-3-10-22-51)54-40-38-50(44-19-7-2-8-20-44)42-56(54)62(53)46-31-35-48(36-32-46)64-66-58-26-14-16-28-60(58)68(64)52-23-11-4-12-24-52;1-3-17-49(18-4-1)65-57-25-13-11-23-55(57)63-61(65)44-32-28-42(29-33-44)59-51-21-9-10-22-52(51)60(54-40-48(37-38-53(54)59)47-36-27-41-15-7-8-16-46(41)39-47)43-30-34-45(35-31-43)62-64-56-24-12-14-26-58(56)66(62)50-19-5-2-6-20-50;1-4-16-39(17-5-1)44-36-37-49-50(38-44)56(41-30-34-43(35-31-41)58-60-52-25-13-15-27-54(52)62(58)46-20-8-3-9-21-46)48-23-11-10-22-47(48)55(49)40-28-32-42(33-29-40)57-59-51-24-12-14-26-53(51)61(57)45-18-6-2-7-19-45;1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36/h1-42,57,59H;1-40,55,57H;1-38,51,53H;1-30H.
What are the key properties of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole?
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 3103.86 g/mol, XLogP of 57.21, 27 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 164962129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).