3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane

C159H126N2O4P4Si4 — CID 157482945

IUPAC3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane
SMILESC.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/2C44H33OPSi.C38H30NOPSi.C32H26NOPSi.CH4/c1-47(2)41-26-13-12-25-39(41)46(45,32-17-4-3-5-18-32)40-29-31(27-28-42(40)47)43-35-20-8-10-22-37(35)44(38-23-11-9-21-36(38)43)34-24-14-16-30-15-6-7-19-33(30)34;1-47(2)43-22-11-10-21-41(43)46(45,34-15-4-3-5-16-34)42-29-33(24-26-44(42)47)31-14-12-13-30(27-31)32-23-25-39-37-19-7-6-17-35(37)36-18-8-9-20-38(36)40(39)28-32;1-42(2)37-22-11-10-21-35(37)41(40,30-15-4-3-5-16-30)36-26-28(23-24-38(36)42)27-13-12-14-29(25-27)39-33-19-8-6-17-31(33)32-18-7-9-20-34(32)39;1-36(2)31-19-11-10-18-29(31)35(34,24-12-4-3-5-13-24)30-22-23(20-21-32(30)36)33-27-16-8-6-14-25(27)26-15-7-9-17-28(26)33;/h2*3-29H,1-2H3;3-26H,1-2H3;3-22H,1-2H3;1H4
InChIKeyBWJGUIFWJMYGAU-UHFFFAOYSA-N
MW2365.01 g/mol
LogP31.93
Rot. Bonds11

About 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane

3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane (PubChem CID 157482945) has the molecular formula C159H126N2O4P4Si4 and a molecular weight of 2365.01 g/mol. Its IUPAC name is 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane.

Molecular Properties

Compound Name3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane
PubChem CID157482945
Molecular FormulaC159H126N2O4P4Si4
Molecular Weight2365.01 g/mol
Exact Mass2362.77
IUPAC Name3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane
SMILESC.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/2C44H33OPSi.C38H30NOPSi.C32H26NOPSi.CH4/c1-47(2)41-26-13-12-25-39(41)46(45,32-17-4-3-5-18-32)40-29-31(27-28-42(40)47)43-35-20-8-10-22-37(35)44(38-23-11-9-21-36(38)43)34-24-14-16-30-15-6-7-19-33(30)34;1-47(2)43-22-11-10-21-41(43)46(45,34-15-4-3-5-16-34)42-29-33(24-26-44(42)47)31-14-12-13-30(27-31)32-23-25-39-37-19-7-6-17-35(37)36-18-8-9-20-38(36)40(39)28-32;1-42(2)37-22-11-10-21-35(37)41(40,30-15-4-3-5-16-30)36-26-28(23-24-38(36)42)27-13-12-14-29(25-27)39-33-19-8-6-17-31(33)32-18-7-9-20-34(32)39;1-36(2)31-19-11-10-18-29(31)35(34,24-12-4-3-5-13-24)30-22-23(20-21-32(30)36)33-27-16-8-6-14-25(27)26-15-7-9-17-28(26)33;/h2*3-29H,1-2H3;3-26H,1-2H3;3-22H,1-2H3;1H4
InChIKeyBWJGUIFWJMYGAU-UHFFFAOYSA-N
XLogP31.93
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002365.01
LogP ≤ 531.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane with MolForge

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Related Compounds

2-carbazol-9-yl-10-phenanthren-9-ylphenoxaphosphinine 10-oxide;10-naphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)phenoxaphosphinine 10-oxide;10-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide;10-phenyl-3-(3-triphenylen-2-ylphenyl)phenoxaphosphinine 10-oxide
CID 157173293
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diphenyl-10-aza-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 14-oxide;17-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-14-phenyl-10-oxa-14λ5-phospha-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 14-oxide
CID 160609218
3-(3-carbazol-9-ylphenyl)-6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599594
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide
CID 153292066
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane?
The IUPAC name of 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane (CID 157482945) is 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane.
What is the SMILES notation for 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane?
The canonical SMILES for 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane is C.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.C[Si]1(C)c2ccccc2P(=O)(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane?
The InChIKey is BWJGUIFWJMYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H33OPSi.C38H30NOPSi.C32H26NOPSi.CH4/c1-47(2)41-26-13-12-25-39(41)46(45,32-17-4-3-5-18-32)40-29-31(27-28-42(40)47)43-35-20-8-10-22-37(35)44(38-23-11-9-21-36(38)43)34-24-14-16-30-15-6-7-19-33(30)34;1-47(2)43-22-11-10-21-41(43)46(45,34-15-4-3-5-16-34)42-29-33(24-26-44(42)47)31-14-12-13-30(27-31)32-23-25-39-37-19-7-6-17-35(37)36-18-8-9-20-38(36)40(39)28-32;1-42(2)37-22-11-10-21-35(37)41(40,30-15-4-3-5-16-30)36-26-28(23-24-38(36)42)27-13-12-14-29(25-27)39-33-19-8-6-17-31(33)32-18-7-9-20-34(32)39;1-36(2)31-19-11-10-18-29(31)35(34,24-12-4-3-5-13-24)30-22-23(20-21-32(30)36)33-27-16-8-6-14-25(27)26-15-7-9-17-28(26)33;/h2*3-29H,1-2H3;3-26H,1-2H3;3-22H,1-2H3;1H4.
What are the key properties of 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane?
3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane has a molecular weight of 2365.01 g/mol, XLogP of 31.93, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;3-(3-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-3-(10-naphthalen-1-ylanthracen-9-yl)-5-phenylbenzo[b][1,4]benzophosphasiline 5-oxide;10,10-dimethyl-5-phenyl-3-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzophosphasiline 5-oxide;methane is sourced from PubChem (CID 157482945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).