2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene

C60H52 — CID 142541185

IUPAC2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C60H52/c1-58(2)51-23-15-13-21-45(51)47-32-30-42(34-53(47)58)44(31-27-38-25-28-40(29-26-38)39-17-9-7-10-18-39)43-33-48(41-19-11-8-12-20-41)57-50-37-54-49(36-55(50)60(5,6)56(57)35-43)46-22-14-16-24-52(46)59(54,3)4/h7-26,28-30,32-37,44H,27,31H2,1-6H3
InChIKeyHMYGGMOUBZGJLT-UHFFFAOYSA-N
MW773.08 g/mol
LogP15.70
Rot. Bonds7

About 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene

2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene (PubChem CID 142541185) has the molecular formula C60H52 and a molecular weight of 773.08 g/mol. Its IUPAC name is 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene.

Molecular Properties

Compound Name2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
PubChem CID142541185
Molecular FormulaC60H52
Molecular Weight773.08 g/mol
Exact Mass772.41
IUPAC Name2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C60H52/c1-58(2)51-23-15-13-21-45(51)47-32-30-42(34-53(47)58)44(31-27-38-25-28-40(29-26-38)39-17-9-7-10-18-39)43-33-48(41-19-11-8-12-20-41)57-50-37-54-49(36-55(50)60(5,6)56(57)35-43)46-22-14-16-24-52(46)59(54,3)4/h7-26,28-30,32-37,44H,27,31H2,1-6H3
InChIKeyHMYGGMOUBZGJLT-UHFFFAOYSA-N
XLogP15.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.08
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethylindeno[1,2-b]fluorene
CID 138455798
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 144605658
10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran
CID 170301738
4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]
CID 163289513
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
CID 138455800
N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 123648754
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
CID 166901559
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
ethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 143843948

Frequently Asked Questions

What is the IUPAC name of 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene?
The IUPAC name of 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene (CID 142541185) is 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene.
What is the SMILES notation for 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene?
The canonical SMILES for 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene is CC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3-5)cc21.
What is the InChIKey of 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene?
The InChIKey is HMYGGMOUBZGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52/c1-58(2)51-23-15-13-21-45(51)47-32-30-42(34-53(47)58)44(31-27-38-25-28-40(29-26-38)39-17-9-7-10-18-39)43-33-48(41-19-11-8-12-20-41)57-50-37-54-49(36-55(50)60(5,6)56(57)35-43)46-22-14-16-24-52(46)59(54,3)4/h7-26,28-30,32-37,44H,27,31H2,1-6H3.
What are the key properties of 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene?
2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene has a molecular weight of 773.08 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene is sourced from PubChem (CID 142541185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).