8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline

C47H32N6 — CID 153429211

IUPAC8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline
SMILESCn1c(-c2cc(C3(c4cc(-c5nc6ccccc6n5C)c5ncccc5c4)c4ccccc4-c4ccccc43)cc3cccnc23)nc2ccccc21
InChIInChI=1S/C47H32N6/c1-52-41-21-9-7-19-39(41)50-45(52)35-27-31(25-29-13-11-23-48-43(29)35)47(37-17-5-3-15-33(37)34-16-4-6-18-38(34)47)32-26-30-14-12-24-49-44(30)36(28-32)46-51-40-20-8-10-22-42(40)53(46)2/h3-28H,1-2H3
InChIKeyYHAMTGQOECVPJY-UHFFFAOYSA-N
MW680.82 g/mol
LogP10.25
Rot. Bonds4

About 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline

8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline (PubChem CID 153429211) has the molecular formula C47H32N6 and a molecular weight of 680.82 g/mol. Its IUPAC name is 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline.

Molecular Properties

Compound Name8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline
PubChem CID153429211
Molecular FormulaC47H32N6
Molecular Weight680.82 g/mol
Exact Mass680.27
IUPAC Name8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline
SMILESCn1c(-c2cc(C3(c4cc(-c5nc6ccccc6n5C)c5ncccc5c4)c4ccccc4-c4ccccc43)cc3cccnc23)nc2ccccc21
InChIInChI=1S/C47H32N6/c1-52-41-21-9-7-19-39(41)50-45(52)35-27-31(25-29-13-11-23-48-43(29)35)47(37-17-5-3-15-33(37)34-16-4-6-18-38(34)47)32-26-30-14-12-24-49-44(30)36(28-32)46-51-40-20-8-10-22-42(40)53(46)2/h3-28H,1-2H3
InChIKeyYHAMTGQOECVPJY-UHFFFAOYSA-N
XLogP10.25
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.82
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 23590299
CID 23590299
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
CID 153429132
1-methyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylphenyl)benzimidazole
CID 137492695
11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole
CID 163769246
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
1-methyl-2-(2-methylsulfanylphenyl)benzimidazole
CID 19866681
difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane
CID 132535146
carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
CID 58251767
10-naphthalen-2-yl-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037072
1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
CID 71348433
CID 134272873
CID 134272873

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline?
The IUPAC name of 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline (CID 153429211) is 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline.
What is the SMILES notation for 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline?
The canonical SMILES for 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline is Cn1c(-c2cc(C3(c4cc(-c5nc6ccccc6n5C)c5ncccc5c4)c4ccccc4-c4ccccc43)cc3cccnc23)nc2ccccc21.
What is the InChIKey of 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline?
The InChIKey is YHAMTGQOECVPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N6/c1-52-41-21-9-7-19-39(41)50-45(52)35-27-31(25-29-13-11-23-48-43(29)35)47(37-17-5-3-15-33(37)34-16-4-6-18-38(34)47)32-26-30-14-12-24-49-44(30)36(28-32)46-51-40-20-8-10-22-42(40)53(46)2/h3-28H,1-2H3.
What are the key properties of 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline?
8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline has a molecular weight of 680.82 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline is sourced from PubChem (CID 153429211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).