9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene

C90H84 — CID 164755546

IUPAC9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3-c3ccccc3)cccc1C2(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/c1-59-32-49-83-82(50-59)85-81(80-29-18-17-28-79(80)64-22-15-14-16-23-64)30-21-31-84(85)90(83,77-26-19-24-65(57-77)71-53-67(60-33-41-73(42-34-60)86(2,3)4)51-68(54-71)61-35-43-74(44-36-61)87(5,6)7)78-27-20-25-66(58-78)72-55-69(62-37-45-75(46-38-62)88(8,9)10)52-70(56-72)63-39-47-76(48-40-63)89(11,12)13/h14-58H,1-13H3
InChIKeyOORZNJZMDIZTGE-UHFFFAOYSA-N
MW1165.66 g/mol
LogP24.88
Rot. Bonds10

About 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene

9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene (PubChem CID 164755546) 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]-3-methyl-5-(2-phenylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
PubChem CID164755546
Molecular FormulaC90H84
Molecular Weight1165.66 g/mol
Exact Mass1164.66
IUPAC Name9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3-c3ccccc3)cccc1C2(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/c1-59-32-49-83-82(50-59)85-81(80-29-18-17-28-79(80)64-22-15-14-16-23-64)30-21-31-84(85)90(83,77-26-19-24-65(57-77)71-53-67(60-33-41-73(42-34-60)86(2,3)4)51-68(54-71)61-35-43-74(44-36-61)87(5,6)7)78-27-20-25-66(58-78)72-55-69(62-37-45-75(46-38-62)88(8,9)10)52-70(56-72)63-39-47-76(48-40-63)89(11,12)13/h14-58H,1-13H3
InChIKeyOORZNJZMDIZTGE-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

3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
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]-5-(2-methylphenyl)-2-phenylfluorene
CID 164755273
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
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
9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
CID 164755474
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
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene?
The IUPAC name of 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene (CID 164755546) is 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene.
What is the SMILES notation for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene?
The canonical SMILES for 9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene is Cc1ccc2c(c1)-c1c(-c3ccccc3-c3ccccc3)cccc1C2(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]-3-methyl-5-(2-phenylphenyl)fluorene?
The InChIKey is OORZNJZMDIZTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H84/c1-59-32-49-83-82(50-59)85-81(80-29-18-17-28-79(80)64-22-15-14-16-23-64)30-21-31-84(85)90(83,77-26-19-24-65(57-77)71-53-67(60-33-41-73(42-34-60)86(2,3)4)51-68(54-71)61-35-43-74(44-36-61)87(5,6)7)78-27-20-25-66(58-78)72-55-69(62-37-45-75(46-38-62)88(8,9)10)52-70(56-72)63-39-47-76(48-40-63)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]-3-methyl-5-(2-phenylphenyl)fluorene?
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene 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]-3-methyl-5-(2-phenylphenyl)fluorene is sourced from PubChem (CID 164755546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).