[9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane

C148H104Si3 — CID 160860441

IUPAC[9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3c2)cc1
InChIInChI=1S/C52H36Si.2C48H34Si/c1-4-16-35(17-5-1)38-30-39(36-18-6-2-7-19-36)32-40(31-38)51-46-26-14-15-27-47(46)52(50-34-42(28-29-48(50)51)53-41-21-8-3-9-22-41)49-33-37-20-10-11-23-43(37)44-24-12-13-25-45(44)49;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)47-43-24-12-13-25-44(43)48(42-26-14-20-35-19-10-11-23-41(35)42)45-28-27-40(32-46(45)47)49-39-21-8-3-9-22-39;1-4-14-33(15-5-1)38-29-39(34-16-6-2-7-17-34)31-40(30-38)48-44-23-13-12-22-43(44)47(37-25-24-35-18-10-11-19-36(35)28-37)46-32-42(26-27-45(46)48)49-41-20-8-3-9-21-41/h1-34H,53H2;2*1-32H,49H2
InChIKeySKKHFCJTSMOBDF-UHFFFAOYSA-N
MW1966.72 g/mol
LogP33.95
Rot. Bonds18

About [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane

[9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane (PubChem CID 160860441) has the molecular formula C148H104Si3 and a molecular weight of 1966.72 g/mol. Its IUPAC name is [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane.

Molecular Properties

Compound Name[9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane
PubChem CID160860441
Molecular FormulaC148H104Si3
Molecular Weight1966.72 g/mol
Exact Mass1964.74
IUPAC Name[9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3c2)cc1
InChIInChI=1S/C52H36Si.2C48H34Si/c1-4-16-35(17-5-1)38-30-39(36-18-6-2-7-19-36)32-40(31-38)51-46-26-14-15-27-47(46)52(50-34-42(28-29-48(50)51)53-41-21-8-3-9-22-41)49-33-37-20-10-11-23-43(37)44-24-12-13-25-45(44)49;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)47-43-24-12-13-25-44(43)48(42-26-14-20-35-19-10-11-23-41(35)42)45-28-27-40(32-46(45)47)49-39-21-8-3-9-22-39;1-4-14-33(15-5-1)38-29-39(34-16-6-2-7-17-34)31-40(30-38)48-44-23-13-12-22-43(44)47(37-25-24-35-18-10-11-19-36(35)28-37)46-32-42(26-27-45(46)48)49-41-20-8-3-9-21-41/h1-34H,53H2;2*1-32H,49H2
InChIKeySKKHFCJTSMOBDF-UHFFFAOYSA-N
XLogP33.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms151
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001966.72
LogP ≤ 533.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane?
The IUPAC name of [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane (CID 160860441) is [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane.
What is the SMILES notation for [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane?
The canonical SMILES for [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane is c1ccc([SiH2]c2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4c(-c4cc5ccccc5c5ccccc45)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3c2)cc1.
What is the InChIKey of [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane?
The InChIKey is SKKHFCJTSMOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36Si.2C48H34Si/c1-4-16-35(17-5-1)38-30-39(36-18-6-2-7-19-36)32-40(31-38)51-46-26-14-15-27-47(46)52(50-34-42(28-29-48(50)51)53-41-21-8-3-9-22-41)49-33-37-20-10-11-23-43(37)44-24-12-13-25-45(44)49;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)47-43-24-12-13-25-44(43)48(42-26-14-20-35-19-10-11-23-41(35)42)45-28-27-40(32-46(45)47)49-39-21-8-3-9-22-39;1-4-14-33(15-5-1)38-29-39(34-16-6-2-7-17-34)31-40(30-38)48-44-23-13-12-22-43(44)47(37-25-24-35-18-10-11-19-36(35)28-37)46-32-42(26-27-45(46)48)49-41-20-8-3-9-21-41/h1-34H,53H2;2*1-32H,49H2.
What are the key properties of [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane?
[9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane has a molecular weight of 1966.72 g/mol, XLogP of 33.95, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-phenylsilane;[10-(3,5-diphenylphenyl)-9-phenanthren-9-ylanthracen-2-yl]-phenylsilane is sourced from PubChem (CID 160860441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).