[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane

C130H92Si3 — CID 160890535

IUPAC[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C46H32Si.2C42H30Si/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)45-40-21-11-12-22-41(40)46(42-28-27-36(30-44(42)45)47-35-16-5-2-6-17-35)43-29-34-15-7-8-18-37(34)38-19-9-10-20-39(38)43;1-3-12-29(13-4-1)30-22-24-32(25-23-30)41-37-19-9-10-20-38(37)42(36-21-11-15-31-14-7-8-18-35(31)36)39-27-26-34(28-40(39)41)43-33-16-5-2-6-17-33;1-3-11-29(12-4-1)31-19-22-32(23-20-31)41-37-17-9-10-18-38(37)42(34-24-21-30-13-7-8-14-33(30)27-34)39-26-25-36(28-40(39)41)43-35-15-5-2-6-16-35/h1-30H,47H2;2*1-28H,43H2
InChIKeySOFCSGQQCNGRAQ-UHFFFAOYSA-N
MW1738.42 g/mol
LogP28.95
Rot. Bonds15

About [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane

[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane (PubChem CID 160890535) has the molecular formula C130H92Si3 and a molecular weight of 1738.42 g/mol. Its IUPAC name is [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane.

Molecular Properties

Compound Name[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane
PubChem CID160890535
Molecular FormulaC130H92Si3
Molecular Weight1738.42 g/mol
Exact Mass1736.65
IUPAC Name[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C46H32Si.2C42H30Si/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)45-40-21-11-12-22-41(40)46(42-28-27-36(30-44(42)45)47-35-16-5-2-6-17-35)43-29-34-15-7-8-18-37(34)38-19-9-10-20-39(38)43;1-3-12-29(13-4-1)30-22-24-32(25-23-30)41-37-19-9-10-20-38(37)42(36-21-11-15-31-14-7-8-18-35(31)36)39-27-26-34(28-40(39)41)43-33-16-5-2-6-17-33;1-3-11-29(12-4-1)31-19-22-32(23-20-31)41-37-17-9-10-18-38(37)42(34-24-21-30-13-7-8-14-33(30)27-34)39-26-25-36(28-40(39)41)43-35-15-5-2-6-16-35/h1-30H,47H2;2*1-28H,43H2
InChIKeySOFCSGQQCNGRAQ-UHFFFAOYSA-N
XLogP28.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms133
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001738.42
LogP ≤ 528.95
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'}

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Frequently Asked Questions

What is the IUPAC name of [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane?
The IUPAC name of [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane (CID 160890535) is [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane.
What is the SMILES notation for [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane?
The canonical SMILES for [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane is c1ccc([SiH2]c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.
What is the InChIKey of [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane?
The InChIKey is SOFCSGQQCNGRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32Si.2C42H30Si/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)45-40-21-11-12-22-41(40)46(42-28-27-36(30-44(42)45)47-35-16-5-2-6-17-35)43-29-34-15-7-8-18-37(34)38-19-9-10-20-39(38)43;1-3-12-29(13-4-1)30-22-24-32(25-23-30)41-37-19-9-10-20-38(37)42(36-21-11-15-31-14-7-8-18-35(31)36)39-27-26-34(28-40(39)41)43-33-16-5-2-6-17-33;1-3-11-29(12-4-1)31-19-22-32(23-20-31)41-37-17-9-10-18-38(37)42(34-24-21-30-13-7-8-14-33(30)27-34)39-26-25-36(28-40(39)41)43-35-15-5-2-6-16-35/h1-30H,47H2;2*1-28H,43H2.
What are the key properties of [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane?
[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane has a molecular weight of 1738.42 g/mol, XLogP of 28.95, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane is sourced from PubChem (CID 160890535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).