4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene

C60H54 — CID 140873499

IUPAC4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC(C)(C)c1cc(-c2cccc(C3(c4cccc(-c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C60H54/c1-57(2,3)46-36-43(37-47(38-46)58(4,5)6)41-21-17-24-45(35-41)60(53-30-13-9-25-49(53)50-26-10-14-31-54(50)60)44-23-16-20-40(34-44)39-19-15-22-42(33-39)48-28-18-32-55-56(48)51-27-11-12-29-52(51)59(55,7)8/h9-38H,1-8H3
InChIKeyPEOHYZIBEQNVQO-UHFFFAOYSA-N
MW775.09 g/mol
LogP15.95
Rot. Bonds5

About 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene

4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene (PubChem CID 140873499) has the molecular formula C60H54 and a molecular weight of 775.09 g/mol. Its IUPAC name is 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
PubChem CID140873499
Molecular FormulaC60H54
Molecular Weight775.09 g/mol
Exact Mass774.42
IUPAC Name4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
SMILESCC(C)(C)c1cc(-c2cccc(C3(c4cccc(-c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C60H54/c1-57(2,3)46-36-43(37-47(38-46)58(4,5)6)41-21-17-24-45(35-41)60(53-30-13-9-25-49(53)50-26-10-14-31-54(50)60)44-23-16-20-40(34-44)39-19-15-22-42(33-39)48-28-18-32-55-56(48)51-27-11-12-29-52(51)59(55,7)8/h9-38H,1-8H3
InChIKeyPEOHYZIBEQNVQO-UHFFFAOYSA-N
XLogP15.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.09
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
CID 164977187
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
N-[2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174308438
2-[3,5-bis(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162075973
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 164755351

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene?
The IUPAC name of 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene (CID 140873499) is 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene?
The canonical SMILES for 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene is CC(C)(C)c1cc(-c2cccc(C3(c4cccc(-c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene?
The InChIKey is PEOHYZIBEQNVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54/c1-57(2,3)46-36-43(37-47(38-46)58(4,5)6)41-21-17-24-45(35-41)60(53-30-13-9-25-49(53)50-26-10-14-31-54(50)60)44-23-16-20-40(34-44)39-19-15-22-42(33-39)48-28-18-32-55-56(48)51-27-11-12-29-52(51)59(55,7)8/h9-38H,1-8H3.
What are the key properties of 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene?
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene has a molecular weight of 775.09 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 140873499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).