N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine

C51H37NSi — CID 166025160

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3[Si]43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C51H37NSi/c1-51(2)44-23-11-6-19-38(44)39-30-28-36(33-45(39)51)52(46-24-12-7-18-37(46)34-16-4-3-5-17-34)35-29-31-50-43(32-35)42-22-10-15-27-49(42)53(50)47-25-13-8-20-40(47)41-21-9-14-26-48(41)53/h3-33H,1-2H3
InChIKeyNYBYHJUEBACNAO-UHFFFAOYSA-N
MW691.95 g/mol
LogP10.47
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine (PubChem CID 166025160) has the molecular formula C51H37NSi and a molecular weight of 691.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine
PubChem CID166025160
Molecular FormulaC51H37NSi
Molecular Weight691.95 g/mol
Exact Mass691.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3[Si]43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C51H37NSi/c1-51(2)44-23-11-6-19-38(44)39-30-28-36(33-45(39)51)52(46-24-12-7-18-37(46)34-16-4-3-5-17-34)35-29-31-50-43(32-35)42-22-10-15-27-49(42)53(50)47-25-13-8-20-40(47)41-21-9-14-26-48(41)53/h3-33H,1-2H3
InChIKeyNYBYHJUEBACNAO-UHFFFAOYSA-N
XLogP10.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.95
LogP ≤ 510.47
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

9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-(9,9-dimethylfluoren-2-yl)-1,8'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 147050983
N-(9,9-dimethylfluoren-2-yl)-8'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 137448810
9-benzhydrylidene-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-N-(2-phenylphenyl)anthracen-2-amine
CID 169284444
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
6-N,16-N-bis(9,9-dimethylfluoren-2-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661048
N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 153426633

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine (CID 166025160) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3[Si]43c4ccccc4-c4ccccc43)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine?
The InChIKey is NYBYHJUEBACNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NSi/c1-51(2)44-23-11-6-19-38(44)39-30-28-36(33-45(39)51)52(46-24-12-7-18-37(46)34-16-4-3-5-17-34)35-29-31-50-43(32-35)42-22-10-15-27-49(42)53(50)47-25-13-8-20-40(47)41-21-9-14-26-48(41)53/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine has a molecular weight of 691.95 g/mol, XLogP of 10.47, 4 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-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-2-amine is sourced from PubChem (CID 166025160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).