9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene

C90H84 — CID 164755273

IUPAC9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
SMILESCc1ccccc1-c1cccc2c1-c1ccc(-c3ccccc3)cc1C2(c1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1)c1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C90H84/c1-59-22-17-18-29-80(59)81-30-21-31-83-85(81)82-49-40-67(60-23-15-14-16-24-60)58-84(82)90(83,78-27-19-25-65(56-78)72-52-68(61-32-41-74(42-33-61)86(2,3)4)50-69(53-72)62-34-43-75(44-35-62)87(5,6)7)79-28-20-26-66(57-79)73-54-70(63-36-45-76(46-37-63)88(8,9)10)51-71(55-73)64-38-47-77(48-39-64)89(11,12)13/h14-58H,1-13H3
InChIKeyCUMCWWKEMIILHB-UHFFFAOYSA-N
MW1165.66 g/mol
LogP24.88
Rot. Bonds10

About 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene

9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene (PubChem CID 164755273) has the molecular formula C90H84 and a molecular weight of 1165.66 g/mol. Its IUPAC name is 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene.

Molecular Properties

Compound Name9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
PubChem CID164755273
Molecular FormulaC90H84
Molecular Weight1165.66 g/mol
Exact Mass1164.66
IUPAC Name9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
SMILESCc1ccccc1-c1cccc2c1-c1ccc(-c3ccccc3)cc1C2(c1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1)c1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C90H84/c1-59-22-17-18-29-80(59)81-30-21-31-83-85(81)82-49-40-67(60-23-15-14-16-24-60)58-84(82)90(83,78-27-19-25-65(56-78)72-52-68(61-32-41-74(42-33-61)86(2,3)4)50-69(53-72)62-34-43-75(44-35-62)87(5,6)7)79-28-20-26-66(57-79)73-54-70(63-36-45-76(46-37-63)88(8,9)10)51-71(55-73)64-38-47-77(48-39-64)89(11,12)13/h14-58H,1-13H3
InChIKeyCUMCWWKEMIILHB-UHFFFAOYSA-N
XLogP24.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.66
LogP ≤ 524.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
CID 164755389
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
CID 164755546
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
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
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]
CID 161480521
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-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene?
The IUPAC name of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene (CID 164755273) is 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene.
What is the SMILES notation for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene?
The canonical SMILES for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene is Cc1ccccc1-c1cccc2c1-c1ccc(-c3ccccc3)cc1C2(c1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1)c1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1.
What is the InChIKey of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene?
The InChIKey is CUMCWWKEMIILHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H84/c1-59-22-17-18-29-80(59)81-30-21-31-83-85(81)82-49-40-67(60-23-15-14-16-24-60)58-84(82)90(83,78-27-19-25-65(56-78)72-52-68(61-32-41-74(42-33-61)86(2,3)4)50-69(53-72)62-34-43-75(44-35-62)87(5,6)7)79-28-20-26-66(57-79)73-54-70(63-36-45-76(46-37-63)88(8,9)10)51-71(55-73)64-38-47-77(48-39-64)89(11,12)13/h14-58H,1-13H3.
What are the key properties of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene?
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene has a molecular weight of 1165.66 g/mol, XLogP of 24.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene is sourced from PubChem (CID 164755273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).