N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine

C65H47NSi — CID 169285448

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cc4c(c5ccccc35)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C65H47NSi/c1-65(2)58-34-16-14-28-53(58)54-41-40-48(42-59(54)65)66(47-38-36-45(37-39-47)52-33-19-23-46-22-18-32-51(63(46)52)44-20-6-3-7-21-44)60-43-62-64(56-30-13-12-29-55(56)60)57-31-15-17-35-61(57)67(62,49-24-8-4-9-25-49)50-26-10-5-11-27-50/h3-43H,1-2H3
InChIKeyAMGOXZHDLFUJFJ-UHFFFAOYSA-N
MW870.18 g/mol
LogP14.46
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine (PubChem CID 169285448) has the molecular formula C65H47NSi and a molecular weight of 870.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine
PubChem CID169285448
Molecular FormulaC65H47NSi
Molecular Weight870.18 g/mol
Exact Mass869.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cc4c(c5ccccc35)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C65H47NSi/c1-65(2)58-34-16-14-28-53(58)54-41-40-48(42-59(54)65)66(47-38-36-45(37-39-47)52-33-19-23-46-22-18-32-51(63(46)52)44-20-6-3-7-21-44)60-43-62-64(56-30-13-12-29-55(56)60)57-31-15-17-35-61(57)67(62,49-24-8-4-9-25-49)50-26-10-5-11-27-50/h3-43H,1-2H3
InChIKeyAMGOXZHDLFUJFJ-UHFFFAOYSA-N
XLogP14.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.18
LogP ≤ 514.46
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-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 153426633
N-[2-(9H-fluoren-9-yl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 168798213
9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118368668
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
7,7-dimethyl-N-phenanthren-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-5-amine
CID 169285163
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 169285223
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-4'-phenyl-9,9'-spirobi[fluorene]-1-amine
CID 129258882
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine?
The IUPAC name of 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) is N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cc4c(c5ccccc35)-c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine?
The InChIKey is AMGOXZHDLFUJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47NSi/c1-65(2)58-34-16-14-28-53(58)54-41-40-48(42-59(54)65)66(47-38-36-45(37-39-47)52-33-19-23-46-22-18-32-51(63(46)52)44-20-6-3-7-21-44)60-43-62-64(56-30-13-12-29-55(56)60)57-31-15-17-35-61(57)67(62,49-24-8-4-9-25-49)50-26-10-5-11-27-50/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine has a molecular weight of 870.18 g/mol, XLogP of 14.46, 7 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)-7,7-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzosilol-5-amine is sourced from PubChem (CID 169285448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).