9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene

C144H108 — CID 161108763

IUPAC9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc12
InChIInChI=1S/C52H38.C48H36.C44H34/c1-52(2,3)51-47-23-13-12-22-45(47)50(37-25-24-33-14-4-5-15-34(33)30-37)46-27-26-36(32-49(46)51)39-28-29-44(42-20-10-8-19-41(39)42)48-31-35-16-6-7-17-38(35)40-18-9-11-21-43(40)48;1-48(2,3)47-44-21-11-10-20-42(44)46(35-24-23-31-13-4-5-15-33(31)29-35)43-26-25-34(30-45(43)47)37-27-28-41(40-19-9-8-18-38(37)40)39-22-12-16-32-14-6-7-17-36(32)39;1-44(2,3)43-40-20-12-11-19-38(40)42(33-22-21-29-13-7-8-16-31(29)27-33)39-24-23-32(28-41(39)43)35-26-25-34(30-14-5-4-6-15-30)36-17-9-10-18-37(35)36/h4-32H,1-3H3;4-30H,1-3H3;4-28H,1-3H3
InChIKeyUJKMCMZYBNSWPL-UHFFFAOYSA-N
MW1838.45 g/mol
LogP41.25
Rot. Bonds9

About 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene

9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 161108763) has the molecular formula C144H108 and a molecular weight of 1838.45 g/mol. Its IUPAC name is 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID161108763
Molecular FormulaC144H108
Molecular Weight1838.45 g/mol
Exact Mass1836.85
IUPAC Name9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene
SMILESCC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc12
InChIInChI=1S/C52H38.C48H36.C44H34/c1-52(2,3)51-47-23-13-12-22-45(47)50(37-25-24-33-14-4-5-15-34(33)30-37)46-27-26-36(32-49(46)51)39-28-29-44(42-20-10-8-19-41(39)42)48-31-35-16-6-7-17-38(35)40-18-9-11-21-43(40)48;1-48(2,3)47-44-21-11-10-20-42(44)46(35-24-23-31-13-4-5-15-33(31)29-35)43-26-25-34(30-45(43)47)37-27-28-41(40-19-9-8-18-38(37)40)39-22-12-16-32-14-6-7-17-36(32)39;1-44(2,3)43-40-20-12-11-19-38(40)42(33-22-21-29-13-7-8-16-31(29)27-33)39-24-23-32(28-41(39)43)35-26-25-34(30-14-5-4-6-15-30)36-17-9-10-18-37(35)36/h4-32H,1-3H3;4-30H,1-3H3;4-28H,1-3H3
InChIKeyUJKMCMZYBNSWPL-UHFFFAOYSA-N
XLogP41.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001838.45
LogP ≤ 541.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene with MolForge

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Related Compounds

9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 123147035
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 123978082
9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-9-ylanthracene
CID 123371385
9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene
CID 161003965
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene
CID 161344956
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;2-naphthalen-2-yl-9-phenanthren-2-yl-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158515822
9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 158259921
1-naphthalen-1-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-naphthalen-2-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 160835629
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene
CID 161455354
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene (CID 161108763) is 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene is CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)cc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc12.
What is the InChIKey of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is UJKMCMZYBNSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38.C48H36.C44H34/c1-52(2,3)51-47-23-13-12-22-45(47)50(37-25-24-33-14-4-5-15-34(33)30-37)46-27-26-36(32-49(46)51)39-28-29-44(42-20-10-8-19-41(39)42)48-31-35-16-6-7-17-38(35)40-18-9-11-21-43(40)48;1-48(2,3)47-44-21-11-10-20-42(44)46(35-24-23-31-13-4-5-15-33(31)29-35)43-26-25-34(30-45(43)47)37-27-28-41(40-19-9-8-18-38(37)40)39-22-12-16-32-14-6-7-17-36(32)39;1-44(2,3)43-40-20-12-11-19-38(40)42(33-22-21-29-13-7-8-16-31(29)27-33)39-24-23-32(28-41(39)43)35-26-25-34(30-14-5-4-6-15-30)36-17-9-10-18-37(35)36/h4-32H,1-3H3;4-30H,1-3H3;4-28H,1-3H3.
What are the key properties of 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene?
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 1838.45 g/mol, XLogP of 41.25, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 161108763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).