N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine

C60H47NSi — CID 153426633

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C60H47NSi/c1-59(2)51-29-15-11-24-44(51)46-36-34-40(38-53(46)59)61(41-35-37-47-45-25-12-16-30-52(45)60(3,4)54(47)39-41)55-31-17-13-26-48(55)49-28-19-33-57-58(49)50-27-14-18-32-56(50)62(57,42-20-7-5-8-21-42)43-22-9-6-10-23-43/h5-39H,1-4H3
InChIKeyXIIMLXMRFKJTML-UHFFFAOYSA-N
MW810.13 g/mol
LogP12.79
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 153426633) has the molecular formula C60H47NSi and a molecular weight of 810.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID153426633
Molecular FormulaC60H47NSi
Molecular Weight810.13 g/mol
Exact Mass809.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C60H47NSi/c1-59(2)51-29-15-11-24-44(51)46-36-34-40(38-53(46)59)61(41-35-37-47-45-25-12-16-30-52(45)60(3,4)54(47)39-41)55-31-17-13-26-48(55)49-28-19-33-57-58(49)50-27-14-18-32-56(50)62(57,42-20-7-5-8-21-42)43-22-9-6-10-23-43/h5-39H,1-4H3
InChIKeyXIIMLXMRFKJTML-UHFFFAOYSA-N
XLogP12.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.13
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine
CID 166025160
N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine
CID 169285448
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 171453229
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285846
N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 122539867
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
CID 159735980
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
5-chloro-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 121361263

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 153426633) is N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc4c3-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is XIIMLXMRFKJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47NSi/c1-59(2)51-29-15-11-24-44(51)46-36-34-40(38-53(46)59)61(41-35-37-47-45-25-12-16-30-52(45)60(3,4)54(47)39-41)55-31-17-13-26-48(55)49-28-19-33-57-58(49)50-27-14-18-32-56(50)62(57,42-20-7-5-8-21-42)43-22-9-6-10-23-43/h5-39H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 810.13 g/mol, XLogP of 12.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 153426633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).