5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine

C67H47NOSi — CID 123275102

IUPAC5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(c3-4)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C67H47NOSi/c1-7-21-48(22-8-1)50-35-39-54(40-36-50)68(55-41-37-51(38-42-55)49-23-9-2-10-24-49)56-43-44-59-61(47-56)67(52-25-11-3-12-26-52,53-27-13-4-14-28-53)60-45-46-64-66(65(59)60)69-62-33-19-20-34-63(62)70(64,57-29-15-5-16-30-57)58-31-17-6-18-32-58/h1-47H
InChIKeyZXWPZXYLTQGCPF-UHFFFAOYSA-N
MW910.21 g/mol
LogP14.34
Rot. Bonds9

About 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine

5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine (PubChem CID 123275102) has the molecular formula C67H47NOSi and a molecular weight of 910.21 g/mol. Its IUPAC name is 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine.

Molecular Properties

Compound Name5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine
PubChem CID123275102
Molecular FormulaC67H47NOSi
Molecular Weight910.21 g/mol
Exact Mass909.34
IUPAC Name5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(c3-4)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C67H47NOSi/c1-7-21-48(22-8-1)50-35-39-54(40-36-50)68(55-41-37-51(38-42-55)49-23-9-2-10-24-49)56-43-44-59-61(47-56)67(52-25-11-3-12-26-52,53-27-13-4-14-28-53)60-45-46-64-66(65(59)60)69-62-33-19-20-34-63(62)70(64,57-29-15-5-16-30-57)58-31-17-6-18-32-58/h1-47H
InChIKeyZXWPZXYLTQGCPF-UHFFFAOYSA-N
XLogP14.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.21
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
CID 147646246
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
CID 152880962
5,5-dimethyl-N-(3-methylphenyl)-N,8,8-triphenylfluoreno[4,3-b][1,4]benzoxasilin-11-amine
CID 123369446
N-[4-(14,14-diphenyl-9-oxa-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 153300548
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
CID 148942158
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine?
The IUPAC name of 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine (CID 123275102) is 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine.
What is the SMILES notation for 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine?
The canonical SMILES for 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(c3-4)Oc3ccccc3[Si]5(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine?
The InChIKey is ZXWPZXYLTQGCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47NOSi/c1-7-21-48(22-8-1)50-35-39-54(40-36-50)68(55-41-37-51(38-42-55)49-23-9-2-10-24-49)56-43-44-59-61(47-56)67(52-25-11-3-12-26-52,53-27-13-4-14-28-53)60-45-46-64-66(65(59)60)69-62-33-19-20-34-63(62)70(64,57-29-15-5-16-30-57)58-31-17-6-18-32-58/h1-47H.
What are the key properties of 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine?
5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine has a molecular weight of 910.21 g/mol, XLogP of 14.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine is sourced from PubChem (CID 123275102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).