1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene

C65H46O2 — CID 172727658

IUPAC1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene
SMILESCc1cccc(Oc2ccc(-c3ccc4c(c3-c3ccc(Oc5cccc(C)c5-c5cccc6c5Cc5ccccc5-6)cc3)Cc3ccccc3-4)cc2)c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C65H46O2/c1-40-13-9-25-61(63(40)56-23-11-21-53-49-18-6-3-15-44(49)37-58(53)56)66-47-31-27-42(28-32-47)52-35-36-55-51-20-8-5-17-46(51)39-60(55)65(52)43-29-33-48(34-30-43)67-62-26-10-14-41(2)64(62)57-24-12-22-54-50-19-7-4-16-45(50)38-59(54)57/h3-36H,37-39H2,1-2H3
InChIKeyHJAYQZBUEPSQDH-UHFFFAOYSA-N
MW859.08 g/mol
LogP17.27
Rot. Bonds8

About 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene

1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene (PubChem CID 172727658) has the molecular formula C65H46O2 and a molecular weight of 859.08 g/mol. Its IUPAC name is 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene.

Molecular Properties

Compound Name1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene
PubChem CID172727658
Molecular FormulaC65H46O2
Molecular Weight859.08 g/mol
Exact Mass858.35
IUPAC Name1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene
SMILESCc1cccc(Oc2ccc(-c3ccc4c(c3-c3ccc(Oc5cccc(C)c5-c5cccc6c5Cc5ccccc5-6)cc3)Cc3ccccc3-4)cc2)c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C65H46O2/c1-40-13-9-25-61(63(40)56-23-11-21-53-49-18-6-3-15-44(49)37-58(53)56)66-47-31-27-42(28-32-47)52-35-36-55-51-20-8-5-17-46(51)39-60(55)65(52)43-29-33-48(34-30-43)67-62-26-10-14-41(2)64(62)57-24-12-22-54-50-19-7-4-16-45(50)38-59(54)57/h3-36H,37-39H2,1-2H3
InChIKeyHJAYQZBUEPSQDH-UHFFFAOYSA-N
XLogP17.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.08
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
4-methyl-1-[2-[4-[4-[2-(4-methyl-9H-fluoren-1-yl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-9H-fluorene
CID 159398844
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
CID 145108730
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene?
The IUPAC name of 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene (CID 172727658) is 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene.
What is the SMILES notation for 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene?
The canonical SMILES for 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene is Cc1cccc(Oc2ccc(-c3ccc4c(c3-c3ccc(Oc5cccc(C)c5-c5cccc6c5Cc5ccccc5-6)cc3)Cc3ccccc3-4)cc2)c1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene?
The InChIKey is HJAYQZBUEPSQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46O2/c1-40-13-9-25-61(63(40)56-23-11-21-53-49-18-6-3-15-44(49)37-58(53)56)66-47-31-27-42(28-32-47)52-35-36-55-51-20-8-5-17-46(51)39-60(55)65(52)43-29-33-48(34-30-43)67-62-26-10-14-41(2)64(62)57-24-12-22-54-50-19-7-4-16-45(50)38-59(54)57/h3-36H,37-39H2,1-2H3.
What are the key properties of 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene?
1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene has a molecular weight of 859.08 g/mol, XLogP of 17.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene is sourced from PubChem (CID 172727658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).