1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole

C58H38N2S2 — CID 59245495

IUPAC1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccc(-c5nc6ccccc6n5-c5ccccc5)cc3)c3cc(-c5ccc(-c6ccccc6)s5)ccc3-4)s2)cc1
InChIInChI=1S/C58H38N2S2/c1-5-15-39(16-6-1)53-33-35-55(61-53)42-27-31-47-48-32-28-43(56-36-34-54(62-56)40-17-7-2-8-18-40)38-50(48)58(49(47)37-42,44-19-9-3-10-20-44)45-29-25-41(26-30-45)57-59-51-23-13-14-24-52(51)60(57)46-21-11-4-12-22-46/h1-38H
InChIKeyOSTJURKYCNATQT-UHFFFAOYSA-N
MW827.09 g/mol
LogP15.85
Rot. Bonds8

About 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole

1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole (PubChem CID 59245495) has the molecular formula C58H38N2S2 and a molecular weight of 827.09 g/mol. Its IUPAC name is 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
PubChem CID59245495
Molecular FormulaC58H38N2S2
Molecular Weight827.09 g/mol
Exact Mass826.25
IUPAC Name1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccc(-c5nc6ccccc6n5-c5ccccc5)cc3)c3cc(-c5ccc(-c6ccccc6)s5)ccc3-4)s2)cc1
InChIInChI=1S/C58H38N2S2/c1-5-15-39(16-6-1)53-33-35-55(61-53)42-27-31-47-48-32-28-43(56-36-34-54(62-56)40-17-7-2-8-18-40)38-50(48)58(49(47)37-42,44-19-9-3-10-20-44)45-29-25-41(26-30-45)57-59-51-23-13-14-24-52(51)60(57)46-21-11-4-12-22-46/h1-38H
InChIKeyOSTJURKYCNATQT-UHFFFAOYSA-N
XLogP15.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.09
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 58894769
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-phenyl-2-(5-phenylthiophen-2-yl)benzimidazole
CID 23527743
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
CID 162097480
CID 162097480
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614
2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58471989
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
CID 138574311
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole (CID 59245495) is 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole is c1ccc(-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccc(-c5nc6ccccc6n5-c5ccccc5)cc3)c3cc(-c5ccc(-c6ccccc6)s5)ccc3-4)s2)cc1.
What is the InChIKey of 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole?
The InChIKey is OSTJURKYCNATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S2/c1-5-15-39(16-6-1)53-33-35-55(61-53)42-27-31-47-48-32-28-43(56-36-34-54(62-56)40-17-7-2-8-18-40)38-50(48)58(49(47)37-42,44-19-9-3-10-20-44)45-29-25-41(26-30-45)57-59-51-23-13-14-24-52(51)60(57)46-21-11-4-12-22-46/h1-38H.
What are the key properties of 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole?
1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole has a molecular weight of 827.09 g/mol, XLogP of 15.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 59245495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).