3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene

C57H42 — CID 164755543

IUPAC3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3C)cccc1C2(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C57H42/c1-39-32-33-54-53(34-39)56-52(51-29-10-9-16-40(51)2)30-15-31-55(56)57(54,49-27-13-25-47(37-49)45-23-11-21-43(35-45)41-17-5-3-6-18-41)50-28-14-26-48(38-50)46-24-12-22-44(36-46)42-19-7-4-8-20-42/h3-38H,1-2H3
InChIKeyISPWYJKVMWJPRQ-UHFFFAOYSA-N
MW726.96 g/mol
LogP15.00
Rot. Bonds7

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

3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene (PubChem CID 164755543) has the molecular formula C57H42 and a molecular weight of 726.96 g/mol. Its IUPAC name is 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
PubChem CID164755543
Molecular FormulaC57H42
Molecular Weight726.96 g/mol
Exact Mass726.33
IUPAC Name3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3C)cccc1C2(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C57H42/c1-39-32-33-54-53(34-39)56-52(51-29-10-9-16-40(51)2)30-15-31-55(56)57(54,49-27-13-25-47(37-49)45-23-11-21-43(35-45)41-17-5-3-6-18-41)50-28-14-26-48(38-50)46-24-12-22-44(36-46)42-19-7-4-8-20-42/h3-38H,1-2H3
InChIKeyISPWYJKVMWJPRQ-UHFFFAOYSA-N
XLogP15.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.96
LogP ≤ 515.00
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
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-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
CID 164755273
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
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
CID 164755389
9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
CID 164755474
2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938931
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The IUPAC name of 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene (CID 164755543) is 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene.
What is the SMILES notation for 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The canonical SMILES for 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene is Cc1ccc2c(c1)-c1c(-c3ccccc3C)cccc1C2(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1cccc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
The InChIKey is ISPWYJKVMWJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42/c1-39-32-33-54-53(34-39)56-52(51-29-10-9-16-40(51)2)30-15-31-55(56)57(54,49-27-13-25-47(37-49)45-23-11-21-43(35-45)41-17-5-3-6-18-41)50-28-14-26-48(38-50)46-24-12-22-44(36-46)42-19-7-4-8-20-42/h3-38H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene?
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene has a molecular weight of 726.96 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene is sourced from PubChem (CID 164755543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).