[10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane

C50H34Si — CID 137329023

IUPAC[10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C50H34Si/c1-2-15-39(16-3-1)51-40-28-29-46-48(32-40)49(44-20-10-11-21-45(44)50(46)38-27-22-33-12-4-5-13-36(33)30-38)35-25-23-34(24-26-35)47-31-37-14-6-7-17-41(37)42-18-8-9-19-43(42)47/h1-32H,51H2
InChIKeyDWRKQPQQACYFLG-UHFFFAOYSA-N
MW662.91 g/mol
LogP11.57
Rot. Bonds5

About [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane

[10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane (PubChem CID 137329023) has the molecular formula C50H34Si and a molecular weight of 662.91 g/mol. Its IUPAC name is [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane.

Molecular Properties

Compound Name[10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane
PubChem CID137329023
Molecular FormulaC50H34Si
Molecular Weight662.91 g/mol
Exact Mass662.24
IUPAC Name[10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane
SMILESc1ccc([SiH2]c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C50H34Si/c1-2-15-39(16-3-1)51-40-28-29-46-48(32-40)49(44-20-10-11-21-45(44)50(46)38-27-22-33-12-4-5-13-36(33)30-38)35-25-23-34(24-26-35)47-31-37-14-6-7-17-41(37)42-18-8-9-19-43(42)47/h1-32H,51H2
InChIKeyDWRKQPQQACYFLG-UHFFFAOYSA-N
XLogP11.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.91
LogP ≤ 511.57
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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Related Compounds

[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
[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
[9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-phenylsilane
CID 137329563
[10-phenanthren-9-yl-9-(3-phenylphenyl)anthracen-2-yl]-phenylsilane
CID 137329432
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylphenanthrene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenylphenanthrene;3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9,10-diphenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene;3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene
CID 161199830
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene
CID 158522790
9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
CID 91535853
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962

Frequently Asked Questions

What is the IUPAC name of [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane?
The IUPAC name of [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane (CID 137329023) is [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane.
What is the SMILES notation for [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane?
The canonical SMILES for [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane is c1ccc([SiH2]c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c2)cc1.
What is the InChIKey of [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane?
The InChIKey is DWRKQPQQACYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34Si/c1-2-15-39(16-3-1)51-40-28-29-46-48(32-40)49(44-20-10-11-21-45(44)50(46)38-27-22-33-12-4-5-13-36(33)30-38)35-25-23-34(24-26-35)47-31-37-14-6-7-17-41(37)42-18-8-9-19-43(42)47/h1-32H,51H2.
What are the key properties of [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane?
[10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane has a molecular weight of 662.91 g/mol, XLogP of 11.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [10-naphthalen-2-yl-9-(4-phenanthren-9-ylphenyl)anthracen-2-yl]-phenylsilane is sourced from PubChem (CID 137329023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).