[4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane

C64H56Ge — CID 176639443

IUPAC[4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2c3ccc(C(C)(C)C)cc3c(-c3ccc([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(C(C)(C)C)cc23)c([2H])c1[2H]
InChIInChI=1S/C64H56Ge/c1-63(2,3)48-38-42-57-58(43-48)60(47-35-39-53(40-36-47)65(50-27-16-9-17-28-50,51-29-18-10-19-30-51)52-31-20-11-21-32-52)56-41-37-49(64(4,5)6)44-59(56)62(57)61-54(45-23-12-7-13-24-45)33-22-34-55(61)46-25-14-8-15-26-46/h7-44H,1-6H3/i7D,8D,12D,13D,14D,15D,22D,23D,24D,25D,26D,33D,34D
InChIKeySMBJPSLTJBJKHV-XJHBPAOGSA-N
MW910.84 g/mol
LogP14.63
Rot. Bonds8

About [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane

[4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane (PubChem CID 176639443) has the molecular formula C64H56Ge and a molecular weight of 910.84 g/mol. Its IUPAC name is [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane.

Molecular Properties

Compound Name[4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane
PubChem CID176639443
Molecular FormulaC64H56Ge
Molecular Weight910.84 g/mol
Exact Mass911.44
IUPAC Name[4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2c3ccc(C(C)(C)C)cc3c(-c3ccc([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(C(C)(C)C)cc23)c([2H])c1[2H]
InChIInChI=1S/C64H56Ge/c1-63(2,3)48-38-42-57-58(43-48)60(47-35-39-53(40-36-47)65(50-27-16-9-17-28-50,51-29-18-10-19-30-51)52-31-20-11-21-32-52)56-41-37-49(64(4,5)6)44-59(56)62(57)61-54(45-23-12-7-13-24-45)33-22-34-55(61)46-25-14-8-15-26-46/h7-44H,1-6H3/i7D,8D,12D,13D,14D,15D,22D,23D,24D,25D,26D,33D,34D
InChIKeySMBJPSLTJBJKHV-XJHBPAOGSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.84
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane with MolForge

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Related Compounds

2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
9,10-bis(2,3,4,5,6-pentadeuteriophenyl)-2,6-diphenylanthracene
CID 140747032
9,10-bis(2,3,4,5,6-pentadeuteriophenyl)-2,7-diphenylanthracene
CID 140747027
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
3,8-bis(2,6-ditert-butyl-10-phenylanthracen-9-yl)-1-N,1-N,6-N,6-N-tetrakis(4-methylphenyl)pyrene-1,6-diamine
CID 59309088
2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
CID 144640372
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
1,2,3,7,8,9-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167406783
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828
4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline
CID 144640366

Frequently Asked Questions

What is the IUPAC name of [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane?
The IUPAC name of [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane (CID 176639443) is [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane.
What is the SMILES notation for [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane?
The canonical SMILES for [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-c2c3ccc(C(C)(C)C)cc3c(-c3ccc([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(C(C)(C)C)cc23)c([2H])c1[2H].
What is the InChIKey of [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane?
The InChIKey is SMBJPSLTJBJKHV-XJHBPAOGSA-N. The full InChI is InChI=1S/C64H56Ge/c1-63(2,3)48-38-42-57-58(43-48)60(47-35-39-53(40-36-47)65(50-27-16-9-17-28-50,51-29-18-10-19-30-51)52-31-20-11-21-32-52)56-41-37-49(64(4,5)6)44-59(56)62(57)61-54(45-23-12-7-13-24-45)33-22-34-55(61)46-25-14-8-15-26-46/h7-44H,1-6H3/i7D,8D,12D,13D,14D,15D,22D,23D,24D,25D,26D,33D,34D.
What are the key properties of [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane?
[4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane has a molecular weight of 910.84 g/mol, XLogP of 14.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-ditert-butyl-10-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-triphenylgermane is sourced from PubChem (CID 176639443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).