9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene

C61H52 — CID 144960596

IUPAC9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene
SMILESCC1(C)C2=C(c3ccccc3C2Cc2ccc(-c3ccc(CC(Cc4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cc3)cc2)c2ccccc21
InChIInChI=1S/C61H52/c1-60(2)55-24-14-12-21-50(55)51-35-30-42(39-57(51)60)37-46(48-19-9-8-18-47(48)45-16-6-5-7-17-45)36-40-26-31-43(32-27-40)44-33-28-41(29-34-44)38-54-49-20-10-11-22-52(49)58-53-23-13-15-25-56(53)61(3,4)59(54)58/h5-35,39,46,54H,36-38H2,1-4H3
InChIKeyJOZQCNZBKFMTGB-UHFFFAOYSA-N
MW785.09 g/mol
LogP15.33
Rot. Bonds9

About 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene

9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene (PubChem CID 144960596) has the molecular formula C61H52 and a molecular weight of 785.09 g/mol. Its IUPAC name is 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene.

Molecular Properties

Compound Name9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene
PubChem CID144960596
Molecular FormulaC61H52
Molecular Weight785.09 g/mol
Exact Mass784.41
IUPAC Name9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene
SMILESCC1(C)C2=C(c3ccccc3C2Cc2ccc(-c3ccc(CC(Cc4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cc3)cc2)c2ccccc21
InChIInChI=1S/C61H52/c1-60(2)55-24-14-12-21-50(55)51-35-30-42(39-57(51)60)37-46(48-19-9-8-18-47(48)45-16-6-5-7-17-45)36-40-26-31-43(32-27-40)44-33-28-41(29-34-44)38-54-49-20-10-11-22-52(49)58-53-23-13-15-25-56(53)61(3,4)59(54)58/h5-35,39,46,54H,36-38H2,1-4H3
InChIKeyJOZQCNZBKFMTGB-UHFFFAOYSA-N
XLogP15.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.09
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]
CID 142521242
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran
CID 164529127
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]
CID 145077269
4-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 145291766
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]
CID 123187266
2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58876393
3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]
CID 123592677

Frequently Asked Questions

What is the IUPAC name of 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene?
The IUPAC name of 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene (CID 144960596) is 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene.
What is the SMILES notation for 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene?
The canonical SMILES for 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene is CC1(C)C2=C(c3ccccc3C2Cc2ccc(-c3ccc(CC(Cc4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4-c4ccccc4)cc3)cc2)c2ccccc21.
What is the InChIKey of 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene?
The InChIKey is JOZQCNZBKFMTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52/c1-60(2)55-24-14-12-21-50(55)51-35-30-42(39-57(51)60)37-46(48-19-9-8-18-47(48)45-16-6-5-7-17-45)36-40-26-31-43(32-27-40)44-33-28-41(29-34-44)38-54-49-20-10-11-22-52(49)58-53-23-13-15-25-56(53)61(3,4)59(54)58/h5-35,39,46,54H,36-38H2,1-4H3.
What are the key properties of 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene?
9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene has a molecular weight of 785.09 g/mol, XLogP of 15.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene is sourced from PubChem (CID 144960596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).