N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine

C59H46N2O3Si — CID 123731456

IUPACN-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5[Si]6(C)C)cc4)c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)cccc21
InChIInChI=1S/C59H46N2O3Si/c1-59(2)47-20-8-10-23-51(47)63-57-45(18-14-21-48(57)59)39-28-32-42(33-29-39)60(44-36-37-50-54(38-44)62-52-24-11-9-22-49(52)61(50)41-16-6-5-7-17-41)43-34-30-40(31-35-43)46-19-15-27-56-58(46)64-53-25-12-13-26-55(53)65(56,3)4/h5-38H,1-4H3
InChIKeyOMFQWCZXQIZFAN-UHFFFAOYSA-N
MW859.11 g/mol
LogP15.43
Rot. Bonds6

About N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine

N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine (PubChem CID 123731456) has the molecular formula C59H46N2O3Si and a molecular weight of 859.11 g/mol. Its IUPAC name is N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine.

Molecular Properties

Compound NameN-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine
PubChem CID123731456
Molecular FormulaC59H46N2O3Si
Molecular Weight859.11 g/mol
Exact Mass858.33
IUPAC NameN-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5[Si]6(C)C)cc4)c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)cccc21
InChIInChI=1S/C59H46N2O3Si/c1-59(2)47-20-8-10-23-51(47)63-57-45(18-14-21-48(57)59)39-28-32-42(33-29-39)60(44-36-37-50-54(38-44)62-52-24-11-9-22-49(52)61(50)41-16-6-5-7-17-41)43-34-30-40(31-35-43)46-19-15-27-56-58(46)64-53-25-12-13-26-55(53)65(56,3)4/h5-38H,1-4H3
InChIKeyOMFQWCZXQIZFAN-UHFFFAOYSA-N
XLogP15.43
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.11
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
4-[4-[4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]anilino]phenyl]-N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]aniline
CID 90365709
4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 123864613
N-dibenzo-p-dioxin-1-yl-10,10-dimethyl-N-[4-(3-phenylphenyl)phenyl]benzo[b][1,4]benzoxasilin-4-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)-10-phenylphenoxazin-3-amine;N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(2,3-diphenyl-1-benzofuran-5-yl)phenoxathiin-1-amine;10,10-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-thianthren-1-ylbenzo[b][1,4]benzoxasilin-4-amine
CID 159372000
4-[4-[4-(9,9-dimethylxanthen-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 174068734
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)-4-phenylaniline
CID 123521859
N,N-bis[4-[4-(4-phenothiazin-10-ylphenyl)phenyl]phenyl]-4-phenylaniline;9,9-dimethyl-N,N-bis[4-[4-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 162159610
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
CID 123954499

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine?
The IUPAC name of N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine (CID 123731456) is N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine.
What is the SMILES notation for N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine?
The canonical SMILES for N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine is CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5[Si]6(C)C)cc4)c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine?
The InChIKey is OMFQWCZXQIZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2O3Si/c1-59(2)47-20-8-10-23-51(47)63-57-45(18-14-21-48(57)59)39-28-32-42(33-29-39)60(44-36-37-50-54(38-44)62-52-24-11-9-22-49(52)61(50)41-16-6-5-7-17-41)43-34-30-40(31-35-43)46-19-15-27-56-58(46)64-53-25-12-13-26-55(53)65(56,3)4/h5-38H,1-4H3.
What are the key properties of N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine?
N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine has a molecular weight of 859.11 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-10-phenylphenoxazin-3-amine is sourced from PubChem (CID 123731456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).