2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole

C68H46N4 — CID 143778808

IUPAC2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole
SMILESC=Cc1nc(-c2ccc3c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4c3c2)n(-c2ccccc2)c1C=C
InChIInChI=1S/C68H46N4/c1-3-57-59(4-2)71(51-33-19-9-20-34-51)67(69-57)49-39-41-53-54-42-40-50(68-70-58-37-23-24-38-60(58)72(68)52-35-21-10-22-36-52)44-56(54)66-64(48-31-17-8-18-32-48)62(46-27-13-6-14-28-46)61(45-25-11-5-12-26-45)63(65(66)55(53)43-49)47-29-15-7-16-30-47/h3-44H,1-2H2
InChIKeyAUBPPAHVZIRGOY-UHFFFAOYSA-N
MW919.14 g/mol
LogP17.96
Rot. Bonds10

About 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole

2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole (PubChem CID 143778808) has the molecular formula C68H46N4 and a molecular weight of 919.14 g/mol. Its IUPAC name is 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole
PubChem CID143778808
Molecular FormulaC68H46N4
Molecular Weight919.14 g/mol
Exact Mass918.37
IUPAC Name2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole
SMILESC=Cc1nc(-c2ccc3c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4c3c2)n(-c2ccccc2)c1C=C
InChIInChI=1S/C68H46N4/c1-3-57-59(4-2)71(51-33-19-9-20-34-51)67(69-57)49-39-41-53-54-42-40-50(68-70-58-37-23-24-38-60(58)72(68)52-35-21-10-22-36-52)44-56(54)66-64(48-31-17-8-18-32-48)62(46-27-13-6-14-28-46)61(45-25-11-5-12-26-45)63(65(66)55(53)43-49)47-29-15-7-16-30-47/h3-44H,1-2H2
InChIKeyAUBPPAHVZIRGOY-UHFFFAOYSA-N
XLogP17.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-(3-ethenylphenyl)-1-phenylbenzimidazole
CID 89265101
2-[7-[(1Z)-buta-1,3-dienyl]-6-methyl-5,8-diphenylnaphthalen-2-yl]-1-phenylbenzimidazole
CID 170001733
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
4,5-bis(ethenyl)-2-[4-(4-methylphenyl)phenyl]-1-phenylimidazole
CID 143688558
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
1-phenyl-2-[9-phenyl-10-(4-phenylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]benzimidazole
CID 130184277
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-phenyl-2-[3-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]phenyl]benzimidazole
CID 140942183

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole (CID 143778808) is 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole is C=Cc1nc(-c2ccc3c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4c3c2)n(-c2ccccc2)c1C=C.
What is the InChIKey of 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole?
The InChIKey is AUBPPAHVZIRGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4/c1-3-57-59(4-2)71(51-33-19-9-20-34-51)67(69-57)49-39-41-53-54-42-40-50(68-70-58-37-23-24-38-60(58)72(68)52-35-21-10-22-36-52)44-56(54)66-64(48-31-17-8-18-32-48)62(46-27-13-6-14-28-46)61(45-25-11-5-12-26-45)63(65(66)55(53)43-49)47-29-15-7-16-30-47/h3-44H,1-2H2.
What are the key properties of 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole?
2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole has a molecular weight of 919.14 g/mol, XLogP of 17.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]-9,10,11,12-tetraphenyltriphenylen-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 143778808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).