N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine

C55H39NOSi — CID 147646246

IUPACN,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C55H39NOSi/c1-5-19-40(20-6-1)41-33-35-43(36-34-41)56(42-21-7-2-8-22-42)44-37-38-54-50(39-44)55(47-27-13-16-30-51(47)57-52-31-17-14-28-48(52)55)49-29-15-18-32-53(49)58(54,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-39H
InChIKeyGIPOZCALLFBTMS-UHFFFAOYSA-N
MW758.01 g/mol
LogP11.00
Rot. Bonds6

About N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine

N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine (PubChem CID 147646246) has the molecular formula C55H39NOSi and a molecular weight of 758.01 g/mol. Its IUPAC name is N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
PubChem CID147646246
Molecular FormulaC55H39NOSi
Molecular Weight758.01 g/mol
Exact Mass757.28
IUPAC NameN,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C55H39NOSi/c1-5-19-40(20-6-1)41-33-35-43(36-34-41)56(42-21-7-2-8-22-42)44-37-38-54-50(39-44)55(47-27-13-16-30-51(47)57-52-31-17-14-28-48(52)55)49-29-15-18-32-53(49)58(54,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-39H
InChIKeyGIPOZCALLFBTMS-UHFFFAOYSA-N
XLogP11.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.01
LogP ≤ 511.00
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-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
CID 152880962
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
9-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-yl)phenyl]carbazole
CID 147593529
5,5,8,8-tetraphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1,4]benzoxasilin-10-amine
CID 123275102
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
N-(3,4-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(3,5-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(4-naphthalen-1-ylphenyl)-5,5-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine
CID 161149148
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 152801513
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009

Frequently Asked Questions

What is the IUPAC name of N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine?
The IUPAC name of N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine (CID 147646246) is N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine.
What is the SMILES notation for N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine?
The canonical SMILES for N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine?
The InChIKey is GIPOZCALLFBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NOSi/c1-5-19-40(20-6-1)41-33-35-43(36-34-41)56(42-21-7-2-8-22-42)44-37-38-54-50(39-44)55(47-27-13-16-30-51(47)57-52-31-17-14-28-48(52)55)49-29-15-18-32-53(49)58(54,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-39H.
What are the key properties of N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine?
N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine has a molecular weight of 758.01 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine is sourced from PubChem (CID 147646246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).