9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene

C86H60 — CID 164755492

IUPAC9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
SMILESCc1ccc2c(c1)-c1c(-c3cccc(-c4ccccc4)c3)cccc1C2(c1cccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1cccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C86H60/c1-59-45-46-83-82(47-59)85-81(72-40-19-33-65(50-72)60-23-7-2-8-24-60)43-22-44-84(85)86(83,79-41-20-38-70(57-79)66-34-17-36-68(48-66)77-53-73(61-25-9-3-10-26-61)51-74(54-77)62-27-11-4-12-28-62)80-42-21-39-71(58-80)67-35-18-37-69(49-67)78-55-75(63-29-13-5-14-30-63)52-76(56-78)64-31-15-6-16-32-64/h2-58H,1H3
InChIKeyCDWAPXXJNWIODX-UHFFFAOYSA-N
MW1093.43 g/mol
LogP23.03
Rot. Bonds12

About 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene

9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene (PubChem CID 164755492) has the molecular formula C86H60 and a molecular weight of 1093.43 g/mol. Its IUPAC name is 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
PubChem CID164755492
Molecular FormulaC86H60
Molecular Weight1093.43 g/mol
Exact Mass1092.47
IUPAC Name9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
SMILESCc1ccc2c(c1)-c1c(-c3cccc(-c4ccccc4)c3)cccc1C2(c1cccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1cccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C86H60/c1-59-45-46-83-82(47-59)85-81(72-40-19-33-65(50-72)60-23-7-2-8-24-60)43-22-44-84(85)86(83,79-41-20-38-70(57-79)66-34-17-36-68(48-66)77-53-73(61-25-9-3-10-26-61)51-74(54-77)62-27-11-4-12-28-62)80-42-21-39-71(58-80)67-35-18-37-69(49-67)78-55-75(63-29-13-5-14-30-63)52-76(56-78)64-31-15-6-16-32-64/h2-58H,1H3
InChIKeyCDWAPXXJNWIODX-UHFFFAOYSA-N
XLogP23.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.43
LogP ≤ 523.03
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
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
CID 164755546
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-phenylphenyl)phenyl]fluorene
CID 140873482
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938622
3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
CID 140873472
4-(3-methylphenyl)-9,9-diphenylfluorene;9-(2-methylphenyl)-9-phenylfluorene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9-phenyl-9-(4-phenylphenyl)fluorene
CID 159810853

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene?
The IUPAC name of 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene (CID 164755492) is 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene.
What is the SMILES notation for 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene?
The canonical SMILES for 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene is Cc1ccc2c(c1)-c1c(-c3cccc(-c4ccccc4)c3)cccc1C2(c1cccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1cccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene?
The InChIKey is CDWAPXXJNWIODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60/c1-59-45-46-83-82(47-59)85-81(72-40-19-33-65(50-72)60-23-7-2-8-24-60)43-22-44-84(85)86(83,79-41-20-38-70(57-79)66-34-17-36-68(48-66)77-53-73(61-25-9-3-10-26-61)51-74(54-77)62-27-11-4-12-28-62)80-42-21-39-71(58-80)67-35-18-37-69(49-67)78-55-75(63-29-13-5-14-30-63)52-76(56-78)64-31-15-6-16-32-64/h2-58H,1H3.
What are the key properties of 9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene?
9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene has a molecular weight of 1093.43 g/mol, XLogP of 23.03, 12 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-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene is sourced from PubChem (CID 164755492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).