N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine

C48H33NOSi — CID 146793729

IUPACN,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3ccccc3[Si]43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C48H33NOSi/c1-3-14-34(15-4-1)36-26-30-38(31-27-36)49(39-32-28-37(29-33-39)35-16-5-2-6-17-35)42-20-13-25-47-48(42)50-43-21-9-12-24-46(43)51(47)44-22-10-7-18-40(44)41-19-8-11-23-45(41)51/h1-33H
InChIKeyRWIJOWMMWVKZFC-UHFFFAOYSA-N
MW667.88 g/mol
LogP9.95
Rot. Bonds5

About N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine

N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine (PubChem CID 146793729) has the molecular formula C48H33NOSi and a molecular weight of 667.88 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine
PubChem CID146793729
Molecular FormulaC48H33NOSi
Molecular Weight667.88 g/mol
Exact Mass667.23
IUPAC NameN,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3ccccc3[Si]43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C48H33NOSi/c1-3-14-34(15-4-1)36-26-30-38(31-27-36)49(39-32-28-37(29-33-39)35-16-5-2-6-17-35)42-20-13-25-47-48(42)50-43-21-9-12-24-46(43)51(47)44-22-10-7-18-40(44)41-19-8-11-23-45(41)51/h1-33H
InChIKeyRWIJOWMMWVKZFC-UHFFFAOYSA-N
XLogP9.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.88
LogP ≤ 59.95
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

5',5'-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-4-amine
CID 148942158
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3-amine
CID 147512340
5,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-4-amine
CID 153426606
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaen-6-amine
CID 162774392
N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 140872051
18-phenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine
CID 176598228
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 159980440
N-(3,4-diphenylphenyl)-N-phenylspiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-2'-amine
CID 147100585
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
6-N,6-N,12-N-triphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855927

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine (CID 146793729) is N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3ccccc3[Si]43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine?
The InChIKey is RWIJOWMMWVKZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NOSi/c1-3-14-34(15-4-1)36-26-30-38(31-27-36)49(39-32-28-37(29-33-39)35-16-5-2-6-17-35)42-20-13-25-47-48(42)50-43-21-9-12-24-46(43)51(47)44-22-10-7-18-40(44)41-19-8-11-23-45(41)51/h1-33H.
What are the key properties of N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine?
N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine has a molecular weight of 667.88 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-4-amine is sourced from PubChem (CID 146793729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).