9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine

C171H114N4O5SSi4 — CID 157232639

IUPAC9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)[Si]3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.c1ccc2c(c1)Oc1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.c1ccc2c(c1)Oc1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc21
InChIInChI=1S/C45H33NOSi.C42H27NO2Si.C42H27NOSSi.C42H27NOSi/c1-45(2)35-14-4-6-16-37(35)46(38-17-7-5-15-36(38)45)32-26-23-30(24-27-32)31-25-28-34-33-13-3-10-20-41(33)48(44(34)29-31)42-21-11-8-18-39(42)47-40-19-9-12-22-43(40)48;1-8-18-39-31(11-1)32-26-23-29(27-42(32)46(39)40-19-9-6-16-37(40)45-38-17-7-10-20-41(38)46)28-21-24-30(25-22-28)43-33-12-2-4-14-35(33)44-36-15-5-3-13-34(36)43;1-8-18-39-31(11-1)32-26-23-29(27-42(32)46(39)40-19-9-4-14-35(40)44-36-15-5-10-20-41(36)46)28-21-24-30(25-22-28)43-33-12-2-6-16-37(33)45-38-17-7-3-13-34(38)43;1-4-14-35-31(11-1)32-12-2-5-15-36(32)43(35)30-24-21-28(22-25-30)29-23-26-34-33-13-3-8-18-39(33)45(42(34)27-29)40-19-9-6-16-37(40)44-38-17-7-10-20-41(38)45/h3-29H,1-2H3;2*1-27H;1-27H
InChIKeyAUGURSHDOMCJJJ-UHFFFAOYSA-N
MW2449.23 g/mol
LogP33.98
Rot. Bonds8

About 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine

9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine (PubChem CID 157232639) has the molecular formula C171H114N4O5SSi4 and a molecular weight of 2449.23 g/mol. Its IUPAC name is 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine.

Molecular Properties

Compound Name9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine
PubChem CID157232639
Molecular FormulaC171H114N4O5SSi4
Molecular Weight2449.23 g/mol
Exact Mass2446.76
IUPAC Name9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)[Si]3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.c1ccc2c(c1)Oc1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.c1ccc2c(c1)Oc1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc21
InChIInChI=1S/C45H33NOSi.C42H27NO2Si.C42H27NOSSi.C42H27NOSi/c1-45(2)35-14-4-6-16-37(35)46(38-17-7-5-15-36(38)45)32-26-23-30(24-27-32)31-25-28-34-33-13-3-10-20-41(33)48(44(34)29-31)42-21-11-8-18-39(42)47-40-19-9-12-22-43(40)48;1-8-18-39-31(11-1)32-26-23-29(27-42(32)46(39)40-19-9-6-16-37(40)45-38-17-7-10-20-41(38)46)28-21-24-30(25-22-28)43-33-12-2-4-14-35(33)44-36-15-5-3-13-34(36)43;1-8-18-39-31(11-1)32-26-23-29(27-42(32)46(39)40-19-9-4-14-35(40)44-36-15-5-10-20-41(36)46)28-21-24-30(25-22-28)43-33-12-2-6-16-37(33)45-38-17-7-3-13-34(38)43;1-4-14-35-31(11-1)32-12-2-5-15-36(32)43(35)30-24-21-28(22-25-30)29-23-26-34-33-13-3-8-18-39(33)45(42(34)27-29)40-19-9-6-16-37(40)44-38-17-7-10-20-41(38)45/h3-29H,1-2H3;2*1-27H;1-27H
InChIKeyAUGURSHDOMCJJJ-UHFFFAOYSA-N
XLogP33.98
TPSA60.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002449.23
LogP ≤ 533.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine with MolForge

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Related Compounds

9-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]carbazole;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenothiazine;10-[4-(5',5'-diphenylspiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-2-yl)phenyl]phenoxazine;N-naphthalen-1-yl-5',5'-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
CID 158429317
9,9-dimethyl-10-phenyl-2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]acridine;10-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenoxazine;10-phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 161400773
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole
CID 153173688
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-thioxanthene]
CID 177278342
9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine
CID 164975433
10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine
CID 160939064
9,9-dimethyl-10-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]acridine;9-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3,6-diphenylcarbazole;10-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine;10-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine
CID 164954667
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine?
The IUPAC name of 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine (CID 157232639) is 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine.
What is the SMILES notation for 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine?
The canonical SMILES for 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine is CC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)[Si]3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.c1ccc2c(c1)Oc1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.c1ccc2c(c1)Oc1ccccc1[Si]21c2ccccc2-c2ccc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine?
The InChIKey is AUGURSHDOMCJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NOSi.C42H27NO2Si.C42H27NOSSi.C42H27NOSi/c1-45(2)35-14-4-6-16-37(35)46(38-17-7-5-15-36(38)45)32-26-23-30(24-27-32)31-25-28-34-33-13-3-10-20-41(33)48(44(34)29-31)42-21-11-8-18-39(42)47-40-19-9-12-22-43(40)48;1-8-18-39-31(11-1)32-26-23-29(27-42(32)46(39)40-19-9-6-16-37(40)45-38-17-7-10-20-41(38)46)28-21-24-30(25-22-28)43-33-12-2-4-14-35(33)44-36-15-5-3-13-34(36)43;1-8-18-39-31(11-1)32-26-23-29(27-42(32)46(39)40-19-9-4-14-35(40)44-36-15-5-10-20-41(36)46)28-21-24-30(25-22-28)43-33-12-2-6-16-37(33)45-38-17-7-3-13-34(38)43;1-4-14-35-31(11-1)32-12-2-5-15-36(32)43(35)30-24-21-28(22-25-30)29-23-26-34-33-13-3-8-18-39(33)45(42(34)27-29)40-19-9-6-16-37(40)44-38-17-7-10-20-41(38)45/h3-29H,1-2H3;2*1-27H;1-27H.
What are the key properties of 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine?
9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine has a molecular weight of 2449.23 g/mol, XLogP of 33.98, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine is sourced from PubChem (CID 157232639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).